2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid

C12H18N2O2 — CID 82373662

IUPAC2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid
SMILESCCc1[nH]c(C2CCCCC2)nc1C(=O)O
InChIInChI=1S/C12H18N2O2/c1-2-9-10(12(15)16)14-11(13-9)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyFJIKPSAWYFRFIO-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.72
Rot. Bonds3

About 2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid

2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid (PubChem CID 82373662) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid
PubChem CID82373662
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid
SMILESCCc1[nH]c(C2CCCCC2)nc1C(=O)O
InChIInChI=1S/C12H18N2O2/c1-2-9-10(12(15)16)14-11(13-9)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyFJIKPSAWYFRFIO-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid (CID 82373662) is 2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid is CCc1[nH]c(C2CCCCC2)nc1C(=O)O.
What is the InChIKey of 2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid?
The InChIKey is FJIKPSAWYFRFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-9-10(12(15)16)14-11(13-9)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid?
2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-ethyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82373662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).