2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile

C15H17N3 — CID 116834670

IUPAC2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile
SMILESCC(C)c1ccc(C(C#N)c2nccn2C)cc1
InChIInChI=1S/C15H17N3/c1-11(2)12-4-6-13(7-5-12)14(10-16)15-17-8-9-18(15)3/h4-9,11,14H,1-3H3
InChIKeyCDDLNKATRVTAIP-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.20
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile

2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile (PubChem CID 116834670) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile
PubChem CID116834670
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile
SMILESCC(C)c1ccc(C(C#N)c2nccn2C)cc1
InChIInChI=1S/C15H17N3/c1-11(2)12-4-6-13(7-5-12)14(10-16)15-17-8-9-18(15)3/h4-9,11,14H,1-3H3
InChIKeyCDDLNKATRVTAIP-UHFFFAOYSA-N
XLogP3.20
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylimidazol-2-yl)-2-phenylacetonitrile
CID 116834667
2-(4-tert-butylphenyl)-2-(1-methylimidazol-2-yl)acetonitrile
CID 116834671
2-(1-methylimidazol-2-yl)-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 116834691
2-(4-fluoro-3-methylphenyl)-2-(1-methylimidazol-2-yl)acetonitrile
CID 116834679
2-(1-methylimidazol-2-yl)-2-(1-methyl-2-oxo-3H-indol-5-yl)acetonitrile
CID 116834712
2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 116834930
2-(1-methylimidazol-2-yl)-2-(2,3,5,6-tetramethylphenyl)acetonitrile
CID 116834708
[1-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105258011
2-(6-methyl-1,3-benzodioxol-5-yl)-2-(1-methylimidazol-2-yl)acetonitrile
CID 116834773
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
CID 162341662

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile?
The IUPAC name of 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile (CID 116834670) is 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile is CC(C)c1ccc(C(C#N)c2nccn2C)cc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile?
The InChIKey is CDDLNKATRVTAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11(2)12-4-6-13(7-5-12)14(10-16)15-17-8-9-18(15)3/h4-9,11,14H,1-3H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile?
2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile has a molecular weight of 239.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)acetonitrile is sourced from PubChem (CID 116834670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).