3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide

C24H23N3O4S — CID 35397739

IUPAC3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
SMILESCOc1ccc(Sc2cc3c(cc2NC(=O)c2cccc(OC)c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C24H23N3O4S/c1-26-20-13-19(25-23(28)15-6-5-7-17(12-15)31-4)22(14-21(20)27(2)24(26)29)32-18-10-8-16(30-3)9-11-18/h5-14H,1-4H3,(H,25,28)
InChIKeyXWULIFRKBXGVMR-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.30
Rot. Bonds6

About 3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide

3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide (PubChem CID 35397739) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
PubChem CID35397739
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
SMILESCOc1ccc(Sc2cc3c(cc2NC(=O)c2cccc(OC)c2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C24H23N3O4S/c1-26-20-13-19(25-23(28)15-6-5-7-17(12-15)31-4)22(14-21(20)27(2)24(26)29)32-18-10-8-16(30-3)9-11-18/h5-14H,1-4H3,(H,25,28)
InChIKeyXWULIFRKBXGVMR-UHFFFAOYSA-N
XLogP4.30
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
CID 35397747
4-tert-butyl-N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 35397459
N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-3-methoxybenzenesulfonamide
CID 50772882
N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 35397571
N-(6-methoxy-1-methyl-2-oxoquinolin-3-yl)benzamide
CID 101228890
3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22777789
3-methoxy-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
CID 15178554
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-3-methoxybenzamide
CID 16841327
2,4-difluoro-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 50772625
3-methoxy-N-(1-methylindol-5-yl)benzamide
CID 110867789
N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)-4-methoxybenzamide
CID 50791877
3-methoxy-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzamide
CID 53190407

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
The IUPAC name of 3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide (CID 35397739) is 3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide is COc1ccc(Sc2cc3c(cc2NC(=O)c2cccc(OC)c2)n(C)c(=O)n3C)cc1.
What is the InChIKey of 3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
The InChIKey is XWULIFRKBXGVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-26-20-13-19(25-23(28)15-6-5-7-17(12-15)31-4)22(14-21(20)27(2)24(26)29)32-18-10-8-16(30-3)9-11-18/h5-14H,1-4H3,(H,25,28).
What are the key properties of 3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide?
3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide has a molecular weight of 449.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide is sourced from PubChem (CID 35397739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).