5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid

C16H18N2O2 — CID 70248357

IUPAC5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc[nH]c1C1CCCC(c2ccccc2)C1
InChIInChI=1S/C16H18N2O2/c19-16(20)15-14(17-10-18-15)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9H2,(H,17,18)(H,19,20)
InChIKeyRSIIRTJGRIWQGQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.55
Rot. Bonds3

About 5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid

5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid (PubChem CID 70248357) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid
PubChem CID70248357
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc[nH]c1C1CCCC(c2ccccc2)C1
InChIInChI=1S/C16H18N2O2/c19-16(20)15-14(17-10-18-15)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9H2,(H,17,18)(H,19,20)
InChIKeyRSIIRTJGRIWQGQ-UHFFFAOYSA-N
XLogP3.55
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid (CID 70248357) is 5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid is O=C(O)c1nc[nH]c1C1CCCC(c2ccccc2)C1.
What is the InChIKey of 5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid?
The InChIKey is RSIIRTJGRIWQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-16(20)15-14(17-10-18-15)13-8-4-7-12(9-13)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9H2,(H,17,18)(H,19,20).
What are the key properties of 5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid?
5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylcyclohexyl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 70248357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).