1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol

C17H24N2O — CID 103170121

IUPAC1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
SMILESCCCn1c(CC(O)CC2CCC2)nc2ccccc21
InChIInChI=1S/C17H24N2O/c1-2-10-19-16-9-4-3-8-15(16)18-17(19)12-14(20)11-13-6-5-7-13/h3-4,8-9,13-14,20H,2,5-7,10-12H2,1H3
InChIKeyNDSRJAZMNKINGE-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.54
Rot. Bonds6

About 1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol

1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol (PubChem CID 103170121) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
PubChem CID103170121
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
SMILESCCCn1c(CC(O)CC2CCC2)nc2ccccc21
InChIInChI=1S/C17H24N2O/c1-2-10-19-16-9-4-3-8-15(16)18-17(19)12-14(20)11-13-6-5-7-13/h3-4,8-9,13-14,20H,2,5-7,10-12H2,1H3
InChIKeyNDSRJAZMNKINGE-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818131
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-propylbenzimidazol-2-yl)ethanol
CID 115818146
1-(dimethylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79754270
1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
3-methoxy-1-(1-propylbenzimidazol-2-yl)butan-2-ol
CID 79753547
1-(tert-butylamino)-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79757629
1-tert-butylsulfanyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol
CID 79756075
2-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750412
5-methylsulfanyl-1-(1-propylbenzimidazol-2-yl)pentan-2-ol
CID 103089740
2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole
CID 81050071
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 115818515
1-(3-methylcyclopentyl)-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79757049

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol (CID 103170121) is 1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol is CCCn1c(CC(O)CC2CCC2)nc2ccccc21.
What is the InChIKey of 1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
The InChIKey is NDSRJAZMNKINGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-10-19-16-9-4-3-8-15(16)18-17(19)12-14(20)11-13-6-5-7-13/h3-4,8-9,13-14,20H,2,5-7,10-12H2,1H3.
What are the key properties of 1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol?
1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol has a molecular weight of 272.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(1-propylbenzimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 103170121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).