3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile

C15H18N4 — CID 62226177

IUPAC3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
SMILESCCCCn1c(C)nc(-c2cccc(C#N)c2)c1N
InChIInChI=1S/C15H18N4/c1-3-4-8-19-11(2)18-14(15(19)17)13-7-5-6-12(9-13)10-16/h5-7,9H,3-4,8,17H2,1-2H3
InChIKeyZSEUMZOSDYWVHZ-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.11
Rot. Bonds4

About 3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile

3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile (PubChem CID 62226177) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile.

Molecular Properties

Compound Name3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
PubChem CID62226177
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
SMILESCCCCn1c(C)nc(-c2cccc(C#N)c2)c1N
InChIInChI=1S/C15H18N4/c1-3-4-8-19-11(2)18-14(15(19)17)13-7-5-6-12(9-13)10-16/h5-7,9H,3-4,8,17H2,1-2H3
InChIKeyZSEUMZOSDYWVHZ-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

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Related Compounds

2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
CID 107936598
5-(4-bromo-3-methylphenyl)-3-butyl-2-methylimidazol-4-amine
CID 66481464
3-butyl-2-methyl-5-quinolin-6-ylimidazol-4-amine
CID 63969523
3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine
CID 55047732
3-butyl-2-methyl-5-(4-propoxyphenyl)imidazol-4-amine
CID 62495773
2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine
CID 62496137
3-butyl-2-tert-butyl-5-(3-methylphenyl)imidazol-4-amine
CID 63468560
4-(5-amino-1-butyl-2-propan-2-ylimidazol-4-yl)benzonitrile
CID 62220346
3-butyl-5-(2-chlorophenyl)-2-methylimidazol-4-amine
CID 62226365
4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile
CID 62220577
3-(5-amino-2-propyl-1,3-thiazol-4-yl)benzonitrile
CID 55034485
3-(3-amino-6-bromo-7-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 79730248

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile?
The IUPAC name of 3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile (CID 62226177) is 3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile.
What is the SMILES notation for 3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile?
The canonical SMILES for 3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile is CCCCn1c(C)nc(-c2cccc(C#N)c2)c1N.
What is the InChIKey of 3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile?
The InChIKey is ZSEUMZOSDYWVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-3-4-8-19-11(2)18-14(15(19)17)13-7-5-6-12(9-13)10-16/h5-7,9H,3-4,8,17H2,1-2H3.
What are the key properties of 3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile?
3-(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 3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile is sourced from PubChem (CID 62226177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).