4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid

C11H16N2O2 — CID 116879037

IUPAC4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCc1cnc(C2CCC(C(=O)O)CC2)[nH]1
InChIInChI=1S/C11H16N2O2/c1-7-6-12-10(13-7)8-2-4-9(5-3-8)11(14)15/h6,8-9H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyBHXWTTSUHMAICR-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.08
Rot. Bonds2

About 4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid

4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 116879037) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID116879037
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCc1cnc(C2CCC(C(=O)O)CC2)[nH]1
InChIInChI=1S/C11H16N2O2/c1-7-6-12-10(13-7)8-2-4-9(5-3-8)11(14)15/h6,8-9H,2-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyBHXWTTSUHMAICR-UHFFFAOYSA-N
XLogP2.08
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid (CID 116879037) is 4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid is Cc1cnc(C2CCC(C(=O)O)CC2)[nH]1.
What is the InChIKey of 4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is BHXWTTSUHMAICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-6-12-10(13-7)8-2-4-9(5-3-8)11(14)15/h6,8-9H,2-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid?
4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-imidazol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116879037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).