2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile

C16H19N3O — CID 116880587

IUPAC2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
SMILESCOc1c(C)cc(-c2cnc(C(C)(C)C#N)[nH]2)cc1C
InChIInChI=1S/C16H19N3O/c1-10-6-12(7-11(2)14(10)20-5)13-8-18-15(19-13)16(3,4)9-17/h6-8H,1-5H3,(H,18,19)
InChIKeyCFDINQWINLKNAU-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.50
Rot. Bonds3

About 2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile

2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile (PubChem CID 116880587) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
PubChem CID116880587
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
SMILESCOc1c(C)cc(-c2cnc(C(C)(C)C#N)[nH]2)cc1C
InChIInChI=1S/C16H19N3O/c1-10-6-12(7-11(2)14(10)20-5)13-8-18-15(19-13)16(3,4)9-17/h6-8H,1-5H3,(H,18,19)
InChIKeyCFDINQWINLKNAU-UHFFFAOYSA-N
XLogP3.50
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
CID 116880579
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
CID 116880575
1-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 116883486
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
CID 116879058
5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-carbonitrile
CID 116879942
2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile
CID 116880505
2-(3,5-dimethyl-2-pyridinyl)-2-methylpropanenitrile
CID 127013942
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]pentan-2-amine
CID 60846812
2-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116876810
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878701
5-(4-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carbonitrile
CID 116858956
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazole-2-carbonitrile
CID 116879961

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile (CID 116880587) is 2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile is COc1c(C)cc(-c2cnc(C(C)(C)C#N)[nH]2)cc1C.
What is the InChIKey of 2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile?
The InChIKey is CFDINQWINLKNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-6-12(7-11(2)14(10)20-5)13-8-18-15(19-13)16(3,4)9-17/h6-8H,1-5H3,(H,18,19).
What are the key properties of 2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile?
2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile has a molecular weight of 269.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile is sourced from PubChem (CID 116880587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).