2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol

C16H22N2O — CID 63105437

IUPAC2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol
SMILESCCc1nc2ccccc2n1C1CCCCCC1O
InChIInChI=1S/C16H22N2O/c1-2-16-17-12-8-6-7-9-13(12)18(16)14-10-4-3-5-11-15(14)19/h6-9,14-15,19H,2-5,10-11H2,1H3
InChIKeyHRSDMFMRGLLYRN-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.46
Rot. Bonds2

About 2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol

2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol (PubChem CID 63105437) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol
PubChem CID63105437
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol
SMILESCCc1nc2ccccc2n1C1CCCCCC1O
InChIInChI=1S/C16H22N2O/c1-2-16-17-12-8-6-7-9-13(12)18(16)14-10-4-3-5-11-15(14)19/h6-9,14-15,19H,2-5,10-11H2,1H3
InChIKeyHRSDMFMRGLLYRN-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile
CID 63638253
2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 112632185
1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one
CID 102735140
2-ethyl-1-[(3S)-oxan-3-yl]benzimidazole
CID 123829845
ethane;2-ethyl-1-hydroxybenzimidazole;methanethiol
CID 145270197
2-(2-ethylbenzimidazol-1-yl)-4-methylcyclohexane-1-carbonitrile
CID 63104681
N-methyl-2-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970701
2-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79750115
2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
CID 63638067
2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 115971173
2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole
CID 127733592
(NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 43834615

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol (CID 63105437) is 2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol is CCc1nc2ccccc2n1C1CCCCCC1O.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol?
The InChIKey is HRSDMFMRGLLYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-16-17-12-8-6-7-9-13(12)18(16)14-10-4-3-5-11-15(14)19/h6-9,14-15,19H,2-5,10-11H2,1H3.
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol?
2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol is sourced from PubChem (CID 63105437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).