1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone

C17H20N2O — CID 3057014

IUPAC1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H20N2O/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-11,13-14H,1-5,12H2
InChIKeyYAEMCNDAIHEJGL-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.81
Rot. Bonds4

About 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone

1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone (PubChem CID 3057014) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone
PubChem CID3057014
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone
SMILESO=C(Cn1ccnc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H20N2O/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-11,13-14H,1-5,12H2
InChIKeyYAEMCNDAIHEJGL-UHFFFAOYSA-N
XLogP3.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone?
The IUPAC name of 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone (CID 3057014) is 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone?
The canonical SMILES for 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone is O=C(Cn1ccnc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone?
The InChIKey is YAEMCNDAIHEJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-11,13-14H,1-5,12H2.
What are the key properties of 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone?
1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone has a molecular weight of 268.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone is sourced from PubChem (CID 3057014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).