1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid

C17H22N2O2 — CID 81455939

IUPAC1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCc1cccc2nc(CC3(C(=O)O)CCCCC3)n(C)c12
InChIInChI=1S/C17H22N2O2/c1-12-7-6-8-13-15(12)19(2)14(18-13)11-17(16(20)21)9-4-3-5-10-17/h6-8H,3-5,9-11H2,1-2H3,(H,20,21)
InChIKeyVJSFTZCKZBBMMI-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.46
Rot. Bonds3

About 1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid

1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 81455939) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
PubChem CID81455939
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
SMILESCc1cccc2nc(CC3(C(=O)O)CCCCC3)n(C)c12
InChIInChI=1S/C17H22N2O2/c1-12-7-6-8-13-15(12)19(2)14(18-13)11-17(16(20)21)9-4-3-5-10-17/h6-8H,3-5,9-11H2,1-2H3,(H,20,21)
InChIKeyVJSFTZCKZBBMMI-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid (CID 81455939) is 1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid is Cc1cccc2nc(CC3(C(=O)O)CCCCC3)n(C)c12.
What is the InChIKey of 1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VJSFTZCKZBBMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-7-6-8-13-15(12)19(2)14(18-13)11-17(16(20)21)9-4-3-5-10-17/h6-8H,3-5,9-11H2,1-2H3,(H,20,21).
What are the key properties of 1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid?
1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81455939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).