1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole

C45H32N6 — CID 70920417

IUPAC1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole
SMILESc1ccc(N2c3ccccc3NC2c2cc(-c3nc4ccccc4n3-c3ccccc3)cc(-c3nc4ccccc4n3-c3ccccc3)c2)cc1
InChIInChI=1S/C45H32N6/c1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36/h1-30,43,46H
InChIKeyKHDCTNMZFPFTEM-UHFFFAOYSA-N
MW656.79 g/mol
LogP10.96
Rot. Bonds6

About 1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole

1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole (PubChem CID 70920417) has the molecular formula C45H32N6 and a molecular weight of 656.79 g/mol. Its IUPAC name is 1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole
PubChem CID70920417
Molecular FormulaC45H32N6
Molecular Weight656.79 g/mol
Exact Mass656.27
IUPAC Name1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole
SMILESc1ccc(N2c3ccccc3NC2c2cc(-c3nc4ccccc4n3-c3ccccc3)cc(-c3nc4ccccc4n3-c3ccccc3)c2)cc1
InChIInChI=1S/C45H32N6/c1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36/h1-30,43,46H
InChIKeyKHDCTNMZFPFTEM-UHFFFAOYSA-N
XLogP10.96
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 510.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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

What is the IUPAC name of 1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole?
The IUPAC name of 1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole (CID 70920417) is 1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole?
The canonical SMILES for 1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole is c1ccc(N2c3ccccc3NC2c2cc(-c3nc4ccccc4n3-c3ccccc3)cc(-c3nc4ccccc4n3-c3ccccc3)c2)cc1.
What is the InChIKey of 1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole?
The InChIKey is KHDCTNMZFPFTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N6/c1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36/h1-30,43,46H.
What are the key properties of 1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole?
1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole has a molecular weight of 656.79 g/mol, XLogP of 10.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 70920417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).