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CAS No.: | 202859-73-2 |
---|---|
Name: | 1-Cyclopropyl-1,3-dihydro-2H-benzimidazol-2-one |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C10H10N2O |
Molecular Weight: | 174.202 |
Synonyms: | 1-Cyclopropyl-1,3-dihydrobenzimidazol-2-one; |
Density: | 1.35 g/cm3 |
PSA: | 37.79000 |
LogP: | 1.66450 |
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This chemical is called 1-Cyclopropyl-1,3-dihydro-2H-benzimidazol-2-one, and it can also be named as 2H-benzimidazol-2-one, 1-cyclopropyl-1,3-dihydro-. With the molecular formula of C10H10N2O, its molecular weight is 174.20. The CAS registry number of this chemical is 202859-73-2, and its product category is Benzimidazole.
Other characteristics of the 1-Cyclopropyl-1,3-dihydro-2H-benzimidazol-2-one can be summarised as followings: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 110; (8)ACD/KOC (pH 7.4): 110; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.34 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 48.128 cm3; (15)Molar Volume: 129.008 cm3; (16)Polarizability: 19.079×10-24cm3; (17)Surface Tension: 61.197 dyne/cm; (18)Density: 1.35 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2Nc1ccccc1N2C3CC3
2.InChI: InChI=1/C10H10N2O/c13-10-11-8-3-1-2-4-9(8)12(10)7-5-6-7/h1-4,7H,5-6H2,(H,11,13)
3.InChIKey: BUPOQYUUGOFEAD-UHFFFAOYAF