N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide

C18H17ClN4O3 — CID 49295823

IUPACN-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)C(=O)NCc3ccccc3Cl)ccc21
InChIInChI=1S/C18H17ClN4O3/c1-22-14-8-7-12(9-15(14)23(2)18(22)26)21-17(25)16(24)20-10-11-5-3-4-6-13(11)19/h3-9H,10H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNFLPRFGWEWCWHM-UHFFFAOYSA-N
MW372.81 g/mol
LogP1.79
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide

N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide (PubChem CID 49295823) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
PubChem CID49295823
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)C(=O)NCc3ccccc3Cl)ccc21
InChIInChI=1S/C18H17ClN4O3/c1-22-14-8-7-12(9-15(14)23(2)18(22)26)21-17(25)16(24)20-10-11-5-3-4-6-13(11)19/h3-9H,10H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNFLPRFGWEWCWHM-UHFFFAOYSA-N
XLogP1.79
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-(3,5-dichlorophenyl)oxamide
CID 108506161
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-ethylphenyl)urea
CID 56790026
N'-(4-anilinophenyl)-N-[(2-chlorophenyl)methyl]oxamide
CID 108506114
N-[(2-chlorophenyl)methyl]-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584450
N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide
CID 52899329
methyl 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 7585238
N-[(2-chlorophenyl)methyl]-N'-[4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679209
N-[(2-chlorophenyl)methyl]-N'-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]oxamide
CID 7688053
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 51053458
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 108506154
N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
CID 2266307
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methylphenyl)propanamide
CID 110778945

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide (CID 49295823) is N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide is Cn1c(=O)n(C)c2cc(NC(=O)C(=O)NCc3ccccc3Cl)ccc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide?
The InChIKey is NFLPRFGWEWCWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-22-14-8-7-12(9-15(14)23(2)18(22)26)21-17(25)16(24)20-10-11-5-3-4-6-13(11)19/h3-9H,10H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide?
N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide has a molecular weight of 372.81 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide is sourced from PubChem (CID 49295823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).