2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid

C12H18N2O2 — CID 115033429

IUPAC2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid
SMILESCC1(c2ncc(CC(=O)O)[nH]2)CCCCC1
InChIInChI=1S/C12H18N2O2/c1-12(5-3-2-4-6-12)11-13-8-9(14-11)7-10(15)16/h8H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyOPFOCCLYVCFESV-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.26
Rot. Bonds3

About 2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid

2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid (PubChem CID 115033429) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid
PubChem CID115033429
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid
SMILESCC1(c2ncc(CC(=O)O)[nH]2)CCCCC1
InChIInChI=1S/C12H18N2O2/c1-12(5-3-2-4-6-12)11-13-8-9(14-11)7-10(15)16/h8H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyOPFOCCLYVCFESV-UHFFFAOYSA-N
XLogP2.26
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-methyloxan-3-yl)-1H-imidazol-5-yl]acetic acid
CID 115034390
[2-(1-methylcyclopentyl)-1H-imidazol-5-yl]methanol
CID 130631199
2-(2-methyl-1H-imidazol-5-yl)acetic acid;hydrochloride
CID 67010725
2-[2-(4-methyloxan-4-yl)-1H-imidazol-5-yl]ethanamine
CID 115026560
4-methyl-2-(1-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136980762
1-(5-ethyl-1H-imidazol-2-yl)cyclohexan-1-amine
CID 105447575
[2-(1-methoxycyclohexyl)-1H-imidazol-5-yl]methanamine
CID 116779739
2-(1-methoxycyclohexyl)-1H-imidazole-5-carboxylic acid
CID 116777785
2-[2-(4-ethylphenyl)-1H-imidazol-5-yl]acetic acid
CID 82288733
2-[2-(oxan-3-yl)-1H-imidazol-5-yl]acetic acid
CID 115026773
2-(1-methylcyclooctyl)-1H-imidazole
CID 90990454
2-(1-methoxycycloheptyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116775156

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid (CID 115033429) is 2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid is CC1(c2ncc(CC(=O)O)[nH]2)CCCCC1.
What is the InChIKey of 2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid?
The InChIKey is OPFOCCLYVCFESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(5-3-2-4-6-12)11-13-8-9(14-11)7-10(15)16/h8H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid?
2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid has a molecular weight of 222.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylcyclohexyl)-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 115033429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).