2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile

C15H18N4 — CID 107936596

IUPAC2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile
SMILESCc1nc(-c2ccccc2C#N)c(N)n1CC(C)C
InChIInChI=1S/C15H18N4/c1-10(2)9-19-11(3)18-14(15(19)17)13-7-5-4-6-12(13)8-16/h4-7,10H,9,17H2,1-3H3
InChIKeyZKNZRYOMICSQSO-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.97
Rot. Bonds3

About 2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile

2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile (PubChem CID 107936596) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile.

Molecular Properties

Compound Name2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile
PubChem CID107936596
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile
SMILESCc1nc(-c2ccccc2C#N)c(N)n1CC(C)C
InChIInChI=1S/C15H18N4/c1-10(2)9-19-11(3)18-14(15(19)17)13-7-5-4-6-12(13)8-16/h4-7,10H,9,17H2,1-3H3
InChIKeyZKNZRYOMICSQSO-UHFFFAOYSA-N
XLogP2.97
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
CID 107936598
2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile
CID 107936690
5-(2,4-difluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
CID 62224859
2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile
CID 107936695
5-(3-fluoro-4-methylphenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
CID 63647032
2-(3-amino-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 107936784
5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
CID 83230987
2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine
CID 62495772
2-[3-(2-methylpropyl)-2-oxo-1,3-benzothiazol-6-yl]benzonitrile
CID 54577348
2-(2,6-diamino-4-pyridinyl)benzonitrile
CID 22629705
5-ethyl-2-methyl-3-(2-methylpropyl)imidazol-4-amine
CID 62225409
2-(2-methylnaphthalen-1-yl)benzonitrile
CID 15858394

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile?
The IUPAC name of 2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile (CID 107936596) is 2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile.
What is the SMILES notation for 2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile?
The canonical SMILES for 2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile is Cc1nc(-c2ccccc2C#N)c(N)n1CC(C)C.
What is the InChIKey of 2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile?
The InChIKey is ZKNZRYOMICSQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10(2)9-19-11(3)18-14(15(19)17)13-7-5-4-6-12(13)8-16/h4-7,10H,9,17H2,1-3H3.
What are the key properties of 2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile?
2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile is sourced from PubChem (CID 107936596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).