6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile

C19H13N5O — CID 166593663

IUPAC6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2nc3ccccc3[nH]2)c(N)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H13N5O/c20-11-12-10-14(18-22-15-8-4-5-9-16(15)23-18)17(21)24(19(12)25)13-6-2-1-3-7-13/h1-10H,21H2,(H,22,23)
InChIKeyJYZDOWHZDPSVPB-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.83
Rot. Bonds2

About 6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile

6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile (PubChem CID 166593663) has the molecular formula C19H13N5O and a molecular weight of 327.35 g/mol. Its IUPAC name is 6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile
PubChem CID166593663
Molecular FormulaC19H13N5O
Molecular Weight327.35 g/mol
Exact Mass327.11
IUPAC Name6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile
SMILESN#Cc1cc(-c2nc3ccccc3[nH]2)c(N)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H13N5O/c20-11-12-10-14(18-22-15-8-4-5-9-16(15)23-18)17(21)24(19(12)25)13-6-2-1-3-7-13/h1-10H,21H2,(H,22,23)
InChIKeyJYZDOWHZDPSVPB-UHFFFAOYSA-N
XLogP2.83
TPSA100.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile (CID 166593663) is 6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile is N#Cc1cc(-c2nc3ccccc3[nH]2)c(N)n(-c2ccccc2)c1=O.
What is the InChIKey of 6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile?
The InChIKey is JYZDOWHZDPSVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O/c20-11-12-10-14(18-22-15-8-4-5-9-16(15)23-18)17(21)24(19(12)25)13-6-2-1-3-7-13/h1-10H,21H2,(H,22,23).
What are the key properties of 6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile?
6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile has a molecular weight of 327.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(1H-benzimidazol-2-yl)-2-oxo-1-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 166593663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).