N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide

C20H20N6O2 — CID 70779648

IUPACN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide
SMILESCc1ccc2nc(CNC(=O)Cn3c(C)nn(-c4ccccc4)c3=O)[nH]c2c1
InChIInChI=1S/C20H20N6O2/c1-13-8-9-16-17(10-13)23-18(22-16)11-21-19(27)12-25-14(2)24-26(20(25)28)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyYFURTTQRKINDFX-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.84
Rot. Bonds5

About N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide (PubChem CID 70779648) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide
PubChem CID70779648
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide
SMILESCc1ccc2nc(CNC(=O)Cn3c(C)nn(-c4ccccc4)c3=O)[nH]c2c1
InChIInChI=1S/C20H20N6O2/c1-13-8-9-16-17(10-13)23-18(22-16)11-21-19(27)12-25-14(2)24-26(20(25)28)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,23)
InChIKeyYFURTTQRKINDFX-UHFFFAOYSA-N
XLogP1.84
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide
CID 70745382
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 56748071
4,4,4-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]butanamide
CID 91832737
(3S)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
CID 92708257
N-(1H-benzimidazol-2-ylmethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 112791039
2-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185454
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
CID 121241058
N-(1H-benzimidazol-2-ylmethyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]acetamide
CID 90517770
1,7-dimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 131918667
N-(1H-benzimidazol-2-ylmethyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 18105244

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide (CID 70779648) is N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide is Cc1ccc2nc(CNC(=O)Cn3c(C)nn(-c4ccccc4)c3=O)[nH]c2c1.
What is the InChIKey of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide?
The InChIKey is YFURTTQRKINDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-13-8-9-16-17(10-13)23-18(22-16)11-21-19(27)12-25-14(2)24-26(20(25)28)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,23).
What are the key properties of N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide?
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 70779648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).