2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide

C21H25N3O2 — CID 47060824

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
SMILESCCn1c(=O)n(CC(=O)NC(C)Cc2ccccc2C)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-4-23-18-11-7-8-12-19(18)24(21(23)26)14-20(25)22-16(3)13-17-10-6-5-9-15(17)2/h5-12,16H,4,13-14H2,1-3H3,(H,22,25)
InChIKeyLILMJRQZFZBPHT-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.88
Rot. Bonds6

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide (PubChem CID 47060824) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
PubChem CID47060824
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
SMILESCCn1c(=O)n(CC(=O)NC(C)Cc2ccccc2C)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-4-23-18-11-7-8-12-19(18)24(21(23)26)14-20(25)22-16(3)13-17-10-6-5-9-15(17)2/h5-12,16H,4,13-14H2,1-3H3,(H,22,25)
InChIKeyLILMJRQZFZBPHT-UHFFFAOYSA-N
XLogP2.88
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 119360644
1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one
CID 79395758
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357080
2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229
N-(5-methylhexan-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46515927
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 51648188
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 51648189
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7450507
N-[1-(furan-2-yl)propan-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 47026554
2-ethoxy-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 61063462
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
2-methoxy-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 47062728

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide (CID 47060824) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide is CCn1c(=O)n(CC(=O)NC(C)Cc2ccccc2C)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide?
The InChIKey is LILMJRQZFZBPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-23-18-11-7-8-12-19(18)24(21(23)26)14-20(25)22-16(3)13-17-10-6-5-9-15(17)2/h5-12,16H,4,13-14H2,1-3H3,(H,22,25).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 47060824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).