3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide

C19H19N3O3 — CID 90651448

IUPAC3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide
SMILESCC(=O)c1cccc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H19N3O3/c1-12(23)14-5-4-6-15(10-14)18(24)20-11-13-7-8-16-17(9-13)22(3)19(25)21(16)2/h4-10H,11H2,1-3H3,(H,20,24)
InChIKeyKPDUUNVWFLIVPT-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.01
Rot. Bonds4

About 3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide

3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide (PubChem CID 90651448) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide
PubChem CID90651448
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide
SMILESCC(=O)c1cccc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H19N3O3/c1-12(23)14-5-4-6-15(10-14)18(24)20-11-13-7-8-16-17(9-13)22(3)19(25)21(16)2/h4-10H,11H2,1-3H3,(H,20,24)
InChIKeyKPDUUNVWFLIVPT-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
N-(3-acetylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110772327
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide
CID 110785347
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide
CID 5305578
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methyl-1-benzofuran-5-carboxamide
CID 72937054
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110785396
1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide
CID 6625310
1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea
CID 110775432
N-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110791294
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 56700613
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide
CID 90650071
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
CID 110785342

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide?
The IUPAC name of 3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide (CID 90651448) is 3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide is CC(=O)c1cccc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of 3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide?
The InChIKey is KPDUUNVWFLIVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(23)14-5-4-6-15(10-14)18(24)20-11-13-7-8-16-17(9-13)22(3)19(25)21(16)2/h4-10H,11H2,1-3H3,(H,20,24).
What are the key properties of 3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide?
3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide is sourced from PubChem (CID 90651448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).