N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

C19H19N3O3 — CID 110772327

IUPACN-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H19N3O3/c1-12(23)14-5-4-6-15(11-14)20-18(24)10-13-7-8-16-17(9-13)22(3)19(25)21(16)2/h4-9,11H,10H2,1-3H3,(H,20,24)
InChIKeyJYJSWEMPJKQVHE-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.26
Rot. Bonds4

About N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (PubChem CID 110772327) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
PubChem CID110772327
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H19N3O3/c1-12(23)14-5-4-6-15(11-14)20-18(24)10-13-7-8-16-17(9-13)22(3)19(25)21(16)2/h4-9,11H,10H2,1-3H3,(H,20,24)
InChIKeyJYJSWEMPJKQVHE-UHFFFAOYSA-N
XLogP2.26
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide
CID 110772303
3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide
CID 90651448
N-(3-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 9165110
N-(3-acetylphenyl)-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 110768505
N-(3-acetylphenyl)-2-(4-phenylphenyl)acetamide
CID 972684
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770345
N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110772315
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide
CID 110772244
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110778944
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-ethylphenyl)propanamide
CID 49170000

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (CID 110772327) is N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is CC(=O)c1cccc(NC(=O)Cc2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The InChIKey is JYJSWEMPJKQVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(23)14-5-4-6-15(11-14)20-18(24)10-13-7-8-16-17(9-13)22(3)19(25)21(16)2/h4-9,11H,10H2,1-3H3,(H,20,24).
What are the key properties of N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 110772327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).