2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile

C17H19N3 — CID 116834549

IUPAC2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile
SMILESN#CC(c1ccc(C2CCCCC2)cc1)c1ncc[nH]1
InChIInChI=1S/C17H19N3/c18-12-16(17-19-10-11-20-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13,16H,1-5H2,(H,19,20)
InChIKeyORXLQSXPIZJQKH-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile

2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile (PubChem CID 116834549) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile
PubChem CID116834549
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile
SMILESN#CC(c1ccc(C2CCCCC2)cc1)c1ncc[nH]1
InChIInChI=1S/C17H19N3/c18-12-16(17-19-10-11-20-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13,16H,1-5H2,(H,19,20)
InChIKeyORXLQSXPIZJQKH-UHFFFAOYSA-N
XLogP4.11
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile?
The IUPAC name of 2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile (CID 116834549) is 2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile is N#CC(c1ccc(C2CCCCC2)cc1)c1ncc[nH]1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile?
The InChIKey is ORXLQSXPIZJQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c18-12-16(17-19-10-11-20-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13,16H,1-5H2,(H,19,20).
What are the key properties of 2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile?
2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile has a molecular weight of 265.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-2-(1H-imidazol-2-yl)acetonitrile is sourced from PubChem (CID 116834549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).