1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole

C32H22N4 — CID 18629889

IUPAC1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C32H22N4/c1-3-11-25(12-4-1)35-29-17-9-7-15-27(29)33-31(35)23-19-21-24(22-20-23)32-34-28-16-8-10-18-30(28)36(32)26-13-5-2-6-14-26/h1-22H
InChIKeyYXFCIBCUBKVQLN-UHFFFAOYSA-N
MW462.56 g/mol
LogP7.70
Rot. Bonds4

About 1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole

1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole (PubChem CID 18629889) has the molecular formula C32H22N4 and a molecular weight of 462.56 g/mol. Its IUPAC name is 1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
PubChem CID18629889
Molecular FormulaC32H22N4
Molecular Weight462.56 g/mol
Exact Mass462.18
IUPAC Name1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
SMILESc1ccc(-n2c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C32H22N4/c1-3-11-25(12-4-1)35-29-17-9-7-15-27(29)33-31(35)23-19-21-24(22-20-23)32-34-28-16-8-10-18-30(28)36(32)26-13-5-2-6-14-26/h1-22H
InChIKeyYXFCIBCUBKVQLN-UHFFFAOYSA-N
XLogP7.70
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)phenoxy]phenyl]benzimidazole
CID 141099436
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497
1-phenyl-2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]benzimidazole
CID 58489449
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline
CID 138705119
2-[4-(1-phenylbenzimidazol-2-yl)phenyl]ethanol
CID 118619438

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole (CID 18629889) is 1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole is c1ccc(-n2c(-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole?
The InChIKey is YXFCIBCUBKVQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4/c1-3-11-25(12-4-1)35-29-17-9-7-15-27(29)33-31(35)23-19-21-24(22-20-23)32-34-28-16-8-10-18-30(28)36(32)26-13-5-2-6-14-26/h1-22H.
What are the key properties of 1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole?
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole has a molecular weight of 462.56 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 18629889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).