2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide

C18H17N7O — CID 47057339

IUPAC2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(-n2cncn2)nc1)n1cnc2ccccc21
InChIInChI=1S/C18H17N7O/c1-13(24-12-22-15-4-2-3-5-16(15)24)18(26)21-9-14-6-7-17(20-8-14)25-11-19-10-23-25/h2-8,10-13H,9H2,1H3,(H,21,26)
InChIKeyKGRSOKRBVQTRRM-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.89
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide

2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide (PubChem CID 47057339) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
PubChem CID47057339
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(-n2cncn2)nc1)n1cnc2ccccc21
InChIInChI=1S/C18H17N7O/c1-13(24-12-22-15-4-2-3-5-16(15)24)18(26)21-9-14-6-7-17(20-8-14)25-11-19-10-23-25/h2-8,10-13H,9H2,1H3,(H,21,26)
InChIKeyKGRSOKRBVQTRRM-UHFFFAOYSA-N
XLogP1.89
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 94026273
2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide
CID 90650920
2-(benzimidazol-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 56915831
(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 95148434
2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
2-(benzimidazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 42959419
4-oxo-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
CID 47036236
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
CID 71939914
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 95124262

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide (CID 47057339) is 2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide is CC(C(=O)NCc1ccc(-n2cncn2)nc1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
The InChIKey is KGRSOKRBVQTRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-13(24-12-22-15-4-2-3-5-16(15)24)18(26)21-9-14-6-7-17(20-8-14)25-11-19-10-23-25/h2-8,10-13H,9H2,1H3,(H,21,26).
What are the key properties of 2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide?
2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide has a molecular weight of 347.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 47057339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).