2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile

C15H18N4 — CID 107936598

IUPAC2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
SMILESCCCCn1c(C)nc(-c2ccccc2C#N)c1N
InChIInChI=1S/C15H18N4/c1-3-4-9-19-11(2)18-14(15(19)17)13-8-6-5-7-12(13)10-16/h5-8H,3-4,9,17H2,1-2H3
InChIKeyBWQRHFCPJXMRPL-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.11
Rot. Bonds4

About 2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile

2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile (PubChem CID 107936598) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
PubChem CID107936598
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
SMILESCCCCn1c(C)nc(-c2ccccc2C#N)c1N
InChIInChI=1S/C15H18N4/c1-3-4-9-19-11(2)18-14(15(19)17)13-8-6-5-7-12(13)10-16/h5-8H,3-4,9,17H2,1-2H3
InChIKeyBWQRHFCPJXMRPL-UHFFFAOYSA-N
XLogP3.11
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile
CID 107936596
3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine
CID 62226365
2-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile
CID 107936690
3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
CID 62226177
5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine
CID 66161297
3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine
CID 55047732
3-butyl-5-(2-methylphenyl)-2-propan-2-ylimidazol-4-amine
CID 62220345
2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile
CID 107936695
3-butyl-2-ethyl-5-(2-fluorophenyl)imidazol-4-amine
CID 62219729
3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine
CID 62220576
3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine
CID 62495773
5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine
CID 66481464

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile?
The IUPAC name of 2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile (CID 107936598) is 2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile.
What is the SMILES notation for 2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile?
The canonical SMILES for 2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile is CCCCn1c(C)nc(-c2ccccc2C#N)c1N.
What is the InChIKey of 2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile?
The InChIKey is BWQRHFCPJXMRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-3-4-9-19-11(2)18-14(15(19)17)13-8-6-5-7-12(13)10-16/h5-8H,3-4,9,17H2,1-2H3.
What are the key properties of 2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile?
2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile has a molecular weight of 254.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile is sourced from PubChem (CID 107936598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).