2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid

C18H28N2O2 — CID 18405557

IUPAC2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCCC2)[nH]c1CCC1CCCCC1
InChIInChI=1S/C18H28N2O2/c21-18(22)16-15(12-11-13-7-3-1-4-8-13)19-17(20-16)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,19,20)(H,21,22)
InChIKeyHIFGIKNGYJOKCS-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.67
Rot. Bonds5

About 2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid

2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid (PubChem CID 18405557) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid
PubChem CID18405557
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid
SMILESO=C(O)c1nc(C2CCCCC2)[nH]c1CCC1CCCCC1
InChIInChI=1S/C18H28N2O2/c21-18(22)16-15(12-11-13-7-3-1-4-8-13)19-17(20-16)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,19,20)(H,21,22)
InChIKeyHIFGIKNGYJOKCS-UHFFFAOYSA-N
XLogP4.67
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid (CID 18405557) is 2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid is O=C(O)c1nc(C2CCCCC2)[nH]c1CCC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid?
The InChIKey is HIFGIKNGYJOKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-18(22)16-15(12-11-13-7-3-1-4-8-13)19-17(20-16)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,19,20)(H,21,22).
What are the key properties of 2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid?
2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid has a molecular weight of 304.43 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(2-cyclohexylethyl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 18405557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).