2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile

C16H13N5 — CID 107936695

IUPAC2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1nc(-c2ccccc2)n(N)c1N
InChIInChI=1S/C16H13N5/c17-10-12-8-4-5-9-13(12)14-15(18)21(19)16(20-14)11-6-2-1-3-7-11/h1-9H,18-19H2
InChIKeyMSKUYJHCQQRGBB-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.38
Rot. Bonds2

About 2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile

2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile (PubChem CID 107936695) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile
PubChem CID107936695
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1nc(-c2ccccc2)n(N)c1N
InChIInChI=1S/C16H13N5/c17-10-12-8-4-5-9-13(12)14-15(18)21(19)16(20-14)11-6-2-1-3-7-11/h1-9H,18-19H2
InChIKeyMSKUYJHCQQRGBB-UHFFFAOYSA-N
XLogP2.38
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1,5-diamino-2-phenylimidazol-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-(1,5-diamino-2-methylimidazol-4-yl)benzonitrile
CID 107936690
2-(4-amino-6-phenyl-1,3,5-triazin-2-yl)benzonitrile
CID 118979887
2-[5-amino-2-methyl-1-(2-methylpropyl)imidazol-4-yl]benzonitrile
CID 107936596
2-(5-amino-1-butyl-2-methylimidazol-4-yl)benzonitrile
CID 107936598
2-(3-amino-6-bromo-8-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 107936784
2-(2,6-diamino-4-pyridinyl)benzonitrile
CID 22629705
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176646140
2-phenylbenzonitrile;urea
CID 162064762
2-(5-amino-1,3-thiazol-4-yl)benzonitrile
CID 107936704
4-[2-[4-cyano-3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 170299696
2-(4,5-diphenyl-1H-imidazol-2-yl)benzonitrile
CID 139214742
2-[4-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 147847714

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile?
The IUPAC name of 2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile (CID 107936695) is 2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile.
What is the SMILES notation for 2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile?
The canonical SMILES for 2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile is N#Cc1ccccc1-c1nc(-c2ccccc2)n(N)c1N.
What is the InChIKey of 2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile?
The InChIKey is MSKUYJHCQQRGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c17-10-12-8-4-5-9-13(12)14-15(18)21(19)16(20-14)11-6-2-1-3-7-11/h1-9H,18-19H2.
What are the key properties of 2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile?
2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile has a molecular weight of 275.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-diamino-2-phenylimidazol-4-yl)benzonitrile is sourced from PubChem (CID 107936695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).