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

C15H18N2O2 — CID 18378994

IUPAC4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H18N2O2/c18-15(19)11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-4,10-11H,5-9H2,(H,16,17)(H,18,19)
InChIKeyXXMHUYWADXFSET-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.00
Rot. Bonds3

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

4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid (PubChem CID 18378994) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid
PubChem CID18378994
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C15H18N2O2/c18-15(19)11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-4,10-11H,5-9H2,(H,16,17)(H,18,19)
InChIKeyXXMHUYWADXFSET-UHFFFAOYSA-N
XLogP3.00
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
CID 67434741
4-[(4-hydroxy-1H-benzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 18732368
cis-(1R,2S)-2-[4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167744160
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
2-[(3R,4S)-3-(1H-benzimidazol-2-ylmethyl)-1-methylpiperidin-4-yl]acetic acid;hydrochloride
CID 172884192
2-[(3R,4S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]acetic acid;hydrochloride
CID 172884193
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
2-[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-N-carbamoylacetamide
CID 122155584
1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium
CID 158055822
1-[3-(1H-benzimidazol-2-yl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 167883500

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid (CID 18378994) is 4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid?
The InChIKey is XXMHUYWADXFSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(19)11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-4,10-11H,5-9H2,(H,16,17)(H,18,19).
What are the key properties of 4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid?
4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 18378994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).