N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide

C19H20N4O4 — CID 49295852

IUPACN'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C19H20N4O4/c1-22-15-9-6-13(10-16(15)23(2)19(22)26)21-18(25)17(24)20-11-12-4-7-14(27-3)8-5-12/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyYOFHIOCJQKHNSR-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.14
Rot. Bonds4

About N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide

N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 49295852) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID49295852
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C19H20N4O4/c1-22-15-9-6-13(10-16(15)23(2)19(22)26)21-18(25)17(24)20-11-12-4-7-14(27-3)8-5-12/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyYOFHIOCJQKHNSR-UHFFFAOYSA-N
XLogP1.14
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 52996681
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 49295966
N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 49295823
N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide
CID 52899329
N-[(4-methoxyphenyl)methyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584394
N-[(4-methoxyphenyl)methyl]-N'-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 30680010
N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2194197
N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide
CID 2889588
N-[(4-methoxyphenyl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2281299
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-methoxyphenyl)oxamide
CID 4037055
2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 124960017

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide (CID 49295852) is N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is YOFHIOCJQKHNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-22-15-9-6-13(10-16(15)23(2)19(22)26)21-18(25)17(24)20-11-12-4-7-14(27-3)8-5-12/h4-10H,11H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide?
N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 368.39 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 49295852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).