2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide

C18H19N3O2 — CID 46249111

IUPAC2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide
SMILESCc1cc2c(cc1NC(=O)c1ccccc1C)n(C)c(=O)n2C
InChIInChI=1S/C18H19N3O2/c1-11-7-5-6-8-13(11)17(22)19-14-10-16-15(9-12(14)2)20(3)18(23)21(16)4/h5-10H,1-4H3,(H,19,22)
InChIKeyKPZWQXVFWAPABL-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.75
Rot. Bonds2

About 2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide

2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide (PubChem CID 46249111) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide
PubChem CID46249111
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide
SMILESCc1cc2c(cc1NC(=O)c1ccccc1C)n(C)c(=O)n2C
InChIInChI=1S/C18H19N3O2/c1-11-7-5-6-8-13(11)17(22)19-14-10-16-15(9-12(14)2)20(3)18(23)21(16)4/h5-10H,1-4H3,(H,19,22)
InChIKeyKPZWQXVFWAPABL-UHFFFAOYSA-N
XLogP2.75
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide
CID 46249057
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 17252034
N-(6-butylsulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide
CID 50824359
N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 50792225
2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide
CID 50793038
2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide
CID 50773210
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
CID 40642475
N-[1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 49199808
N-(2-bromo-4,5-dimethylphenyl)-2-methylbenzamide
CID 1233587
2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873
N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-methoxybenzamide
CID 127044824
N-(4-iodo-3,5-dimethylphenyl)-2-methylbenzamide
CID 17274184

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide?
The IUPAC name of 2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide (CID 46249111) is 2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide?
The canonical SMILES for 2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide is Cc1cc2c(cc1NC(=O)c1ccccc1C)n(C)c(=O)n2C.
What is the InChIKey of 2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide?
The InChIKey is KPZWQXVFWAPABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-7-5-6-8-13(11)17(22)19-14-10-16-15(9-12(14)2)20(3)18(23)21(16)4/h5-10H,1-4H3,(H,19,22).
What are the key properties of 2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide?
2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide has a molecular weight of 309.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide is sourced from PubChem (CID 46249111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).