2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile

C19H12ClN5 — CID 73346261

IUPAC2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)cc(-c2nc3ccccc3[nH]2)nc1N
InChIInChI=1S/C19H12ClN5/c20-12-5-3-4-11(8-12)13-9-17(23-18(22)14(13)10-21)19-24-15-6-1-2-7-16(15)25-19/h1-9H,(H2,22,23)(H,24,25)
InChIKeyGGGHKFJTSQTXEL-UHFFFAOYSA-N
MW345.79 g/mol
LogP4.40
Rot. Bonds2

About 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile

2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile (PubChem CID 73346261) has the molecular formula C19H12ClN5 and a molecular weight of 345.79 g/mol. Its IUPAC name is 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile
PubChem CID73346261
Molecular FormulaC19H12ClN5
Molecular Weight345.79 g/mol
Exact Mass345.08
IUPAC Name2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1c(-c2cccc(Cl)c2)cc(-c2nc3ccccc3[nH]2)nc1N
InChIInChI=1S/C19H12ClN5/c20-12-5-3-4-11(8-12)13-9-17(23-18(22)14(13)10-21)19-24-15-6-1-2-7-16(15)25-19/h1-9H,(H2,22,23)(H,24,25)
InChIKeyGGGHKFJTSQTXEL-UHFFFAOYSA-N
XLogP4.40
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile (CID 73346261) is 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile is N#Cc1c(-c2cccc(Cl)c2)cc(-c2nc3ccccc3[nH]2)nc1N.
What is the InChIKey of 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile?
The InChIKey is GGGHKFJTSQTXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN5/c20-12-5-3-4-11(8-12)13-9-17(23-18(22)14(13)10-21)19-24-15-6-1-2-7-16(15)25-19/h1-9H,(H2,22,23)(H,24,25).
What are the key properties of 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile?
2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile has a molecular weight of 345.79 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 73346261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).