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

C19H21N3O2 — CID 110772303

IUPAC2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H21N3O2/c1-12-7-13(2)9-15(8-12)20-18(23)11-14-5-6-16-17(10-14)22(4)19(24)21(16)3/h5-10H,11H2,1-4H3,(H,20,23)
InChIKeyVYUXEHXVSDRZLI-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.68
Rot. Bonds3

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

2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 110772303) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID110772303
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H21N3O2/c1-12-7-13(2)9-15(8-12)20-18(23)11-14-5-6-16-17(10-14)22(4)19(24)21(16)3/h5-10H,11H2,1-4H3,(H,20,23)
InChIKeyVYUXEHXVSDRZLI-UHFFFAOYSA-N
XLogP2.68
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110772327
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetic acid
CID 45157012
N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110772315
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110778944
N-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-5-yl)-N'-(3,5-dimethylphenyl)butanediamide
CID 3719946
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide
CID 110772244
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1-(3,5-dimethylphenyl)cyclobutane-1-carboxamide
CID 49168875
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-ethylphenyl)propanamide
CID 49170000
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 3450934
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110785396

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide (CID 110772303) is 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)Cc2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is VYUXEHXVSDRZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-7-13(2)9-15(8-12)20-18(23)11-14-5-6-16-17(10-14)22(4)19(24)21(16)3/h5-10H,11H2,1-4H3,(H,20,23).
What are the key properties of 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide?
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 110772303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).