N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide

C19H20N4O3 — CID 49295659

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1
InChIInChI=1S/C19H20N4O3/c1-12(13-7-5-4-6-8-13)20-17(24)18(25)21-14-9-10-15-16(11-14)23(3)19(26)22(15)2/h4-12H,1-3H3,(H,20,24)(H,21,25)
InChIKeyUNINUOWPCZUSTA-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.69
Rot. Bonds3

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide (PubChem CID 49295659) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide
PubChem CID49295659
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1
InChIInChI=1S/C19H20N4O3/c1-12(13-7-5-4-6-8-13)20-17(24)18(25)21-14-9-10-15-16(11-14)23(3)19(26)22(15)2/h4-12H,1-3H3,(H,20,24)(H,21,25)
InChIKeyUNINUOWPCZUSTA-UHFFFAOYSA-N
XLogP1.69
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 51053458
N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide
CID 108507943
N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide
CID 2249399
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-[(1R)-1-phenylethyl]acetamide
CID 94078264
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 52996681
N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 49295823
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 41192456
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(N-methylsulfonylanilino)propanamide
CID 7421558
N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide
CID 52899329
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 124655998
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea
CID 56790026

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide (CID 49295659) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccccc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide?
The InChIKey is UNINUOWPCZUSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(13-7-5-4-6-8-13)20-17(24)18(25)21-14-9-10-15-16(11-14)23(3)19(26)22(15)2/h4-12H,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide has a molecular weight of 352.39 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide is sourced from PubChem (CID 49295659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).