8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile

C25H12Cl2N4 — CID 25192789

IUPAC8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)c(-c2cccc(Cl)c2)c2c(nc3ccccn32)c1C#N
InChIInChI=1S/C25H12Cl2N4/c26-17-7-3-5-15(11-17)22-19(13-28)20(14-29)24-25(31-10-2-1-9-21(31)30-24)23(22)16-6-4-8-18(27)12-16/h1-12H
InChIKeyJKTGSCYOZVNEJS-UHFFFAOYSA-N
MW439.31 g/mol
LogP6.87
Rot. Bonds2

About 8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile

8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile (PubChem CID 25192789) has the molecular formula C25H12Cl2N4 and a molecular weight of 439.31 g/mol. Its IUPAC name is 8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile.

Molecular Properties

Compound Name8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile
PubChem CID25192789
Molecular FormulaC25H12Cl2N4
Molecular Weight439.31 g/mol
Exact Mass438.04
IUPAC Name8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)c(-c2cccc(Cl)c2)c2c(nc3ccccn32)c1C#N
InChIInChI=1S/C25H12Cl2N4/c26-17-7-3-5-15(11-17)22-19(13-28)20(14-29)24-25(31-10-2-1-9-21(31)30-24)23(22)16-6-4-8-18(27)12-16/h1-12H
InChIKeyJKTGSCYOZVNEJS-UHFFFAOYSA-N
XLogP6.87
TPSA64.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.31
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile?
The IUPAC name of 8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile (CID 25192789) is 8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile.
What is the SMILES notation for 8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile?
The canonical SMILES for 8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile is N#Cc1c(-c2cccc(Cl)c2)c(-c2cccc(Cl)c2)c2c(nc3ccccn32)c1C#N.
What is the InChIKey of 8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile?
The InChIKey is JKTGSCYOZVNEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H12Cl2N4/c26-17-7-3-5-15(11-17)22-19(13-28)20(14-29)24-25(31-10-2-1-9-21(31)30-24)23(22)16-6-4-8-18(27)12-16/h1-12H.
What are the key properties of 8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile?
8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile has a molecular weight of 439.31 g/mol, XLogP of 6.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-bis(3-chlorophenyl)pyrido[1,2-a]benzimidazole-6,7-dicarbonitrile is sourced from PubChem (CID 25192789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).