1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene

C29H24ClN3 — CID 144527338

IUPAC1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.Clc1ccc(-n2c(-c3ccc(-c4ccncc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H16ClN3.C5H8/c25-20-9-11-21(12-10-20)28-23-4-2-1-3-22(23)27-24(28)19-7-5-17(6-8-19)18-13-15-26-16-14-18;1-3-5-4-2/h1-16H;3-5H,1H2,2H3/b;5-4-
InChIKeyFSMGLMZIVDWQGR-GUHKXDMSSA-N
MW449.99 g/mol
LogP8.16
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene

1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene (PubChem CID 144527338) has the molecular formula C29H24ClN3 and a molecular weight of 449.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene
PubChem CID144527338
Molecular FormulaC29H24ClN3
Molecular Weight449.99 g/mol
Exact Mass449.17
IUPAC Name1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene
SMILESC=C/C=C\C.Clc1ccc(-n2c(-c3ccc(-c4ccncc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H16ClN3.C5H8/c25-20-9-11-21(12-10-20)28-23-4-2-1-3-22(23)27-24(28)19-7-5-17(6-8-19)18-13-15-26-16-14-18;1-3-5-4-2/h1-16H;3-5H,1H2,2H3/b;5-4-
InChIKeyFSMGLMZIVDWQGR-GUHKXDMSSA-N
XLogP8.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.99
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene 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

1-(4-chlorophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 19353947
(3Z)-penta-1,3-diene;5-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 144549188
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
CID 155173998
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[4-[4-[2,5-bis(4-methylphenyl)pyrrol-1-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 58489476
1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole
CID 134816857
3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine
CID 138566817
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
1-(4-fluorophenyl)-2-(4-methylphenyl)benzimidazole
CID 95930125
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene (CID 144527338) is 1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene is C=C/C=C\C.Clc1ccc(-n2c(-c3ccc(-c4ccncc4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene?
The InChIKey is FSMGLMZIVDWQGR-GUHKXDMSSA-N. The full InChI is InChI=1S/C24H16ClN3.C5H8/c25-20-9-11-21(12-10-20)28-23-4-2-1-3-22(23)27-24(28)19-7-5-17(6-8-19)18-13-15-26-16-14-18;1-3-5-4-2/h1-16H;3-5H,1H2,2H3/b;5-4-.
What are the key properties of 1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene?
1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene has a molecular weight of 449.99 g/mol, XLogP of 8.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-pyridin-4-ylphenyl)benzimidazole;(3Z)-penta-1,3-diene is sourced from PubChem (CID 144527338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).