4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid

C14H16N2O2 — CID 82513545

IUPAC4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(n2cnc3ccccc32)CC1
InChIInChI=1S/C14H16N2O2/c17-14(18)10-5-7-11(8-6-10)16-9-15-12-3-1-2-4-13(12)16/h1-4,9-11H,5-8H2,(H,17,18)
InChIKeyMZXMXXYZXGNFBQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.85
Rot. Bonds2

About 4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid

4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 82513545) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid
PubChem CID82513545
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(n2cnc3ccccc32)CC1
InChIInChI=1S/C14H16N2O2/c17-14(18)10-5-7-11(8-6-10)16-9-15-12-3-1-2-4-13(12)16/h1-4,9-11H,5-8H2,(H,17,18)
InChIKeyMZXMXXYZXGNFBQ-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride
CID 171992049
4-(benzimidazol-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 172582070
cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone
CID 82494686
3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine
CID 79643579
4-[6-[(E)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]benzimidazol-1-yl]cyclohexane-1-carboxylic acid
CID 10474369
2-(1-cyclopropylbenzimidazol-5-yl)acetic acid
CID 82492988
6-[4-(benzimidazol-1-yl)piperidin-1-yl]-N,N-dimethylpyridazine-3-carboxamide
CID 166307167
1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone
CID 46090271
N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine
CID 121317709
[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 121193758
3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride
CID 177184374

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid (CID 82513545) is 4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(n2cnc3ccccc32)CC1.
What is the InChIKey of 4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is MZXMXXYZXGNFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14(18)10-5-7-11(8-6-10)16-9-15-12-3-1-2-4-13(12)16/h1-4,9-11H,5-8H2,(H,17,18).
What are the key properties of 4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid?
4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82513545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).