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

C32H22N4 — CID 25191911

IUPAC1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
SMILESc1ccc(-n2c(-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C32H22N4/c1-3-13-23(14-4-1)35-29-21-11-9-19-27(29)33-31(35)25-17-7-8-18-26(25)32-34-28-20-10-12-22-30(28)36(32)24-15-5-2-6-16-24/h1-22H
InChIKeyQHOGMADDTIMQBX-UHFFFAOYSA-N
MW462.56 g/mol
LogP7.70
Rot. Bonds4

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

1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole (PubChem CID 25191911) has the molecular formula C32H22N4 and a molecular weight of 462.56 g/mol. Its IUPAC name is 1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
PubChem CID25191911
Molecular FormulaC32H22N4
Molecular Weight462.56 g/mol
Exact Mass462.18
IUPAC Name1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
SMILESc1ccc(-n2c(-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C32H22N4/c1-3-13-23(14-4-1)35-29-21-11-9-19-27(29)33-31(35)25-17-7-8-18-26(25)32-34-28-20-10-12-22-30(28)36(32)24-15-5-2-6-16-24/h1-22H
InChIKeyQHOGMADDTIMQBX-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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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole (CID 25191911) is 1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole is c1ccc(-n2c(-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole?
The InChIKey is QHOGMADDTIMQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4/c1-3-13-23(14-4-1)35-29-21-11-9-19-27(29)33-31(35)25-17-7-8-18-26(25)32-34-28-20-10-12-22-30(28)36(32)24-15-5-2-6-16-24/h1-22H.
What are the key properties of 1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole?
1-phenyl-2-[2-(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-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 25191911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).