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

C17H20N4 — CID 62220577

IUPAC4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile
SMILESCCCCn1c(C2CC2)nc(-c2ccc(C#N)cc2)c1N
InChIInChI=1S/C17H20N4/c1-2-3-10-21-16(19)15(20-17(21)14-8-9-14)13-6-4-12(11-18)5-7-13/h4-7,14H,2-3,8-10,19H2,1H3
InChIKeyZCFQFIROTVKTTM-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.68
Rot. Bonds5

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

4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile (PubChem CID 62220577) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile
PubChem CID62220577
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile
SMILESCCCCn1c(C2CC2)nc(-c2ccc(C#N)cc2)c1N
InChIInChI=1S/C17H20N4/c1-2-3-10-21-16(19)15(20-17(21)14-8-9-14)13-6-4-12(11-18)5-7-13/h4-7,14H,2-3,8-10,19H2,1H3
InChIKeyZCFQFIROTVKTTM-UHFFFAOYSA-N
XLogP3.68
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-butyl-2-cyclopropyl-5-(6-methyl-3-pyridinyl)imidazol-4-amine
CID 104823262
4-(5-amino-1-butyl-2-propan-2-ylimidazol-4-yl)benzonitrile
CID 62220346
4-(1,5-diamino-2-cyclopropylimidazol-4-yl)benzonitrile
CID 62483808
3-butyl-2-cyclopropyl-5-(2-methylphenyl)imidazol-4-amine
CID 62220576
3-butyl-5-(4-chloro-2-fluorophenyl)-2-cyclopropylimidazol-4-amine
CID 114859771
2-cyclopropyl-5-(3,5-dimethylphenyl)-3-propylimidazol-4-amine
CID 62220740
2-cyclopropyl-5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine
CID 62220925
5-(4-chlorophenyl)-2-cyclohexyl-3-ethylimidazol-4-amine
CID 63468570
3-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
CID 62226177
2-cyclopropyl-5-(4-ethylphenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62220950
3-(5-amino-2-cyclopropyl-1-prop-2-enylimidazol-4-yl)benzonitrile
CID 62220395
5-(3-bromo-4-methoxyphenyl)-2-cyclopropyl-3-propylimidazol-4-amine
CID 62220561

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile?
The IUPAC name of 4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile (CID 62220577) is 4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile.
What is the SMILES notation for 4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile?
The canonical SMILES for 4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile is CCCCn1c(C2CC2)nc(-c2ccc(C#N)cc2)c1N.
What is the InChIKey of 4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile?
The InChIKey is ZCFQFIROTVKTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-3-10-21-16(19)15(20-17(21)14-8-9-14)13-6-4-12(11-18)5-7-13/h4-7,14H,2-3,8-10,19H2,1H3.
What are the key properties of 4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile?
4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile has a molecular weight of 280.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-butyl-2-cyclopropylimidazol-4-yl)benzonitrile is sourced from PubChem (CID 62220577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).