2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile

C23H16N4 — CID 102525418

IUPAC2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile
SMILESCn1c(-c2ccc(-c3ccc(C4=CC=CC4)cc3)cc2)nc(C#N)c1C#N
InChIInChI=1S/C23H16N4/c1-27-22(15-25)21(14-24)26-23(27)20-12-10-19(11-13-20)18-8-6-17(7-9-18)16-4-2-3-5-16/h2-4,6-13H,5H2,1H3
InChIKeySPWFJZWGIKQXMU-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.84
Rot. Bonds3

About 2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile

2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile (PubChem CID 102525418) has the molecular formula C23H16N4 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile
PubChem CID102525418
Molecular FormulaC23H16N4
Molecular Weight348.41 g/mol
Exact Mass348.14
IUPAC Name2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile
SMILESCn1c(-c2ccc(-c3ccc(C4=CC=CC4)cc3)cc2)nc(C#N)c1C#N
InChIInChI=1S/C23H16N4/c1-27-22(15-25)21(14-24)26-23(27)20-12-10-19(11-13-20)18-8-6-17(7-9-18)16-4-2-3-5-16/h2-4,6-13H,5H2,1H3
InChIKeySPWFJZWGIKQXMU-UHFFFAOYSA-N
XLogP4.84
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile 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-(4-cyclopenta-1,3-dien-1-ylphenyl)-1-methylimidazole-4,5-dicarbonitrile
CID 102525411
CID 139260336
CID 139260336
2-chloro-1-methylimidazole-4,5-dicarbonitrile
CID 10607171
(4-cyclopenta-1,3-dien-1-ylphenyl)-diphenylphosphane
CID 122378027
2-[[4,6-bis[bis(4,5-dicyano-1-methylimidazol-2-yl)amino]-1,3,5-triazin-2-yl]-(4,5-dicyano-1-methylimidazol-2-yl)amino]-1-methylimidazole-4,5-dicarbonitrile
CID 15866261
2,4-di(cyclopenta-1,3-dien-1-yl)-6-methylpyridine
CID 102441252
2-[3-(4,5-dicyano-1-methylimidazol-2-yl)oxypropoxy]-1-methylimidazole-4,5-dicarbonitrile
CID 102461510
4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile
CID 141483083
1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene
CID 174397877
5-methyl-2-(4-methylphenyl)-1H-imidazole-4-carbonitrile
CID 82373758
1-(3,6-dimethylpyrazin-2-yl)imidazole-4,5-dicarbonitrile
CID 112595850
5-bromo-2-(3,5-dimethoxyphenyl)-1-methylimidazole-4-carbonitrile
CID 84604664

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile?
The IUPAC name of 2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile (CID 102525418) is 2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile is Cn1c(-c2ccc(-c3ccc(C4=CC=CC4)cc3)cc2)nc(C#N)c1C#N.
What is the InChIKey of 2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile?
The InChIKey is SPWFJZWGIKQXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4/c1-27-22(15-25)21(14-24)26-23(27)20-12-10-19(11-13-20)18-8-6-17(7-9-18)16-4-2-3-5-16/h2-4,6-13H,5H2,1H3.
What are the key properties of 2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile?
2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile has a molecular weight of 348.41 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopenta-1,3-dien-1-ylphenyl)phenyl]-1-methylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 102525418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).