3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid

C17H22N2O2 — CID 82770294

IUPAC3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1CC1CCCCC1
InChIInChI=1S/C17H22N2O2/c1-2-16-18-14-9-8-13(17(20)21)10-15(14)19(16)11-12-6-4-3-5-7-12/h8-10,12H,2-7,11H2,1H3,(H,20,21)
InChIKeyOWUNVGIGKMNFRZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.88
Rot. Bonds4

About 3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid

3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid (PubChem CID 82770294) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid
PubChem CID82770294
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid
SMILESCCc1nc2ccc(C(=O)O)cc2n1CC1CCCCC1
InChIInChI=1S/C17H22N2O2/c1-2-16-18-14-9-8-13(17(20)21)10-15(14)19(16)11-12-6-4-3-5-7-12/h8-10,12H,2-7,11H2,1H3,(H,20,21)
InChIKeyOWUNVGIGKMNFRZ-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(oxan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 63711769
2-ethyl-3-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxylic acid
CID 82773344
3-[2-(cyclopropylamino)-2-oxoethyl]-2-ethylbenzimidazole-5-carboxylic acid
CID 82770860
2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
CID 82774230
3-(oxolan-3-ylmethyl)-2-propylbenzimidazole-5-carboxylic acid
CID 82774632
3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82791209
2-ethyl-3-(2,3,3-trimethylbutyl)benzimidazole-5-carboxylic acid
CID 83142351
3-(1-cyclopropylbutan-2-yl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82773276
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 106279134
1-[2-ethyl-3-(oxetan-2-ylmethyl)benzimidazol-5-yl]ethanone
CID 178171699
3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid
CID 106003502
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid?
The IUPAC name of 3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid (CID 82770294) is 3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid is CCc1nc2ccc(C(=O)O)cc2n1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid?
The InChIKey is OWUNVGIGKMNFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-16-18-14-9-8-13(17(20)21)10-15(14)19(16)11-12-6-4-3-5-7-12/h8-10,12H,2-7,11H2,1H3,(H,20,21).
What are the key properties of 3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid?
3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 82770294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).