2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide

C13H14N6O2 — CID 83092147

IUPAC2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1n[nH]c(NC(=O)C(C)n2cnc3ccccc32)n1
InChIInChI=1S/C13H14N6O2/c1-8(11(20)15-12-16-13(21-2)18-17-12)19-7-14-9-5-3-4-6-10(9)19/h3-8H,1-2H3,(H2,15,16,17,18,20)
InChIKeyXJBIXXWCGIZVMN-UHFFFAOYSA-N
MW286.30 g/mol
LogP1.36
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide

2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 83092147) has the molecular formula C13H14N6O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
PubChem CID83092147
Molecular FormulaC13H14N6O2
Molecular Weight286.30 g/mol
Exact Mass286.12
IUPAC Name2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1n[nH]c(NC(=O)C(C)n2cnc3ccccc32)n1
InChIInChI=1S/C13H14N6O2/c1-8(11(20)15-12-16-13(21-2)18-17-12)19-7-14-9-5-3-4-6-10(9)19/h3-8H,1-2H3,(H2,15,16,17,18,20)
InChIKeyXJBIXXWCGIZVMN-UHFFFAOYSA-N
XLogP1.36
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzimidazol-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 48507866
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(2S)-2-(benzimidazol-1-yl)-N-(4-oxo-1H-pyridin-3-yl)propanamide
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(2S)-2-(benzimidazol-1-yl)-N-(4-methylsulfanylphenyl)propanamide
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2-(benzimidazol-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
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(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
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N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
N-(3-methoxy-1H-1,2,4-triazol-5-yl)quinoxaline-2-carboxamide
CID 83102478
methyl 6-[2-(benzimidazol-1-yl)propanoylamino]hexanoate
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2-(benzimidazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876740
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115968731

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide (CID 83092147) is 2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide is COc1n[nH]c(NC(=O)C(C)n2cnc3ccccc32)n1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is XJBIXXWCGIZVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2/c1-8(11(20)15-12-16-13(21-2)18-17-12)19-7-14-9-5-3-4-6-10(9)19/h3-8H,1-2H3,(H2,15,16,17,18,20).
What are the key properties of 2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 286.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 83092147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).