N-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

C20H14N6O — CID 166210491

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc2ncnn12
InChIInChI=1S/C20H14N6O/c27-20(17-6-3-7-18-21-12-22-26(17)18)23-14-10-8-13(9-11-14)19-24-15-4-1-2-5-16(15)25-19/h1-12H,(H,23,27)(H,24,25)
InChIKeyVLTXWNCLWPRJTG-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.52
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 166210491) has the molecular formula C20H14N6O and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
PubChem CID166210491
Molecular FormulaC20H14N6O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc2ncnn12
InChIInChI=1S/C20H14N6O/c27-20(17-6-3-7-18-21-12-22-26(17)18)23-14-10-8-13(9-11-14)19-24-15-4-1-2-5-16(15)25-19/h1-12H,(H,23,27)(H,24,25)
InChIKeyVLTXWNCLWPRJTG-UHFFFAOYSA-N
XLogP3.52
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 42110942
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide
CID 1348553
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide
CID 166424810
1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea
CID 2393320
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
CID 3584641
(E)-4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobut-2-enoic acid
CID 6032890
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4855019
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenylquinoline-4-carboxamide
CID 4622832

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (CID 166210491) is N-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc2ncnn12.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is VLTXWNCLWPRJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O/c27-20(17-6-3-7-18-21-12-22-26(17)18)23-14-10-8-13(9-11-14)19-24-15-4-1-2-5-16(15)25-19/h1-12H,(H,23,27)(H,24,25).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 166210491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).