4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid

C14H16N2O2 — CID 116985498

IUPAC4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H16N2O2/c17-14(18)10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-4,9-10H,5-8H2,(H,15,16)(H,17,18)
InChIKeyCZTCBBZKOFOWBN-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.92
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid

4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 116985498) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID116985498
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H16N2O2/c17-14(18)10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-4,9-10H,5-8H2,(H,15,16)(H,17,18)
InChIKeyCZTCBBZKOFOWBN-UHFFFAOYSA-N
XLogP2.92
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 18378994
[(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 155506967
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
5-(2-cyclopropyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117431127
3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551613
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 35348941
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587171
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672761
2-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]-1H-benzimidazole
CID 18148631
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid (CID 116985498) is 4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is CZTCBBZKOFOWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14(18)10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-4,9-10H,5-8H2,(H,15,16)(H,17,18).
What are the key properties of 4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid?
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116985498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).