2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

C20H20N6O2 — CID 47017963

IUPAC2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H20N6O2/c1-14(15-7-9-16(10-8-15)26-13-21-12-22-26)23-19(27)11-25-18-6-4-3-5-17(18)24(2)20(25)28/h3-10,12-14H,11H2,1-2H3,(H,23,27)
InChIKeyBGPIHKOISRAFMM-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.80
Rot. Bonds5

About 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 47017963) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
PubChem CID47017963
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESCC(NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C20H20N6O2/c1-14(15-7-9-16(10-8-15)26-13-21-12-22-26)23-19(27)11-25-18-6-4-3-5-17(18)24(2)20(25)28/h3-10,12-14H,11H2,1-2H3,(H,23,27)
InChIKeyBGPIHKOISRAFMM-UHFFFAOYSA-N
XLogP1.80
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 78804509
2-naphthalen-1-yl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582783
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 91783278
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 92786787
2-cyclopentyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 41088887
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 55736076
3-chloro-1-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]indole-2-carboxamide
CID 55663277
2-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 32966489
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(4-propan-2-ylphenyl)ethyl]propanamide
CID 46448670
2-(2-methoxyphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7582996
2-(4-phenoxyphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 134011978

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (CID 47017963) is 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is CC(NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is BGPIHKOISRAFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-14(15-7-9-16(10-8-15)26-13-21-12-22-26)23-19(27)11-25-18-6-4-3-5-17(18)24(2)20(25)28/h3-10,12-14H,11H2,1-2H3,(H,23,27).
What are the key properties of 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 47017963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).