2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile

C20H11N5 — CID 69437638

IUPAC2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc(-c2cccc(-c3nc4ccc(C#N)cc4[nH]3)n2)cc1
InChIInChI=1S/C20H11N5/c21-11-13-4-7-15(8-5-13)16-2-1-3-18(23-16)20-24-17-9-6-14(12-22)10-19(17)25-20/h1-10H,(H,24,25)
InChIKeyAELKWYRZTBLMRT-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.04
Rot. Bonds2

About 2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile

2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile (PubChem CID 69437638) has the molecular formula C20H11N5 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
PubChem CID69437638
Molecular FormulaC20H11N5
Molecular Weight321.34 g/mol
Exact Mass321.10
IUPAC Name2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc(-c2cccc(-c3nc4ccc(C#N)cc4[nH]3)n2)cc1
InChIInChI=1S/C20H11N5/c21-11-13-4-7-15(8-5-13)16-2-1-3-18(23-16)20-24-17-9-6-14(12-22)10-19(17)25-20/h1-10H,(H,24,25)
InChIKeyAELKWYRZTBLMRT-UHFFFAOYSA-N
XLogP4.04
TPSA89.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
2-quinolin-2-yl-3H-benzimidazole-5-carbonitrile
CID 79004134
2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile
CID 11209127
2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile
CID 107356609
3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile
CID 10016570
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797
4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 19921448
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908144
2-(2-methyl-1,3-thiazol-4-yl)-3H-benzimidazole-5-carbonitrile
CID 79004870
2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004256
2,6-bis(6-fluoro-2-pyridinyl)-1H-benzimidazole
CID 129051782

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile (CID 69437638) is 2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile is N#Cc1ccc(-c2cccc(-c3nc4ccc(C#N)cc4[nH]3)n2)cc1.
What is the InChIKey of 2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile?
The InChIKey is AELKWYRZTBLMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N5/c21-11-13-4-7-15(8-5-13)16-2-1-3-18(23-16)20-24-17-9-6-14(12-22)10-19(17)25-20/h1-10H,(H,24,25).
What are the key properties of 2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile?
2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile has a molecular weight of 321.34 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 69437638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).