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

C24H22ClN3O3S — CID 35397747

IUPAC2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
SMILESCOc1ccc(Sc2cc3c(cc2NC(=O)Cc2ccc(Cl)cc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C24H22ClN3O3S/c1-27-20-13-19(26-23(29)12-15-4-6-16(25)7-5-15)22(14-21(20)28(2)24(27)30)32-18-10-8-17(31-3)9-11-18/h4-11,13-14H,12H2,1-3H3,(H,26,29)
InChIKeyFQUXEBNEXAVKQP-UHFFFAOYSA-N
MW467.98 g/mol
LogP4.87
Rot. Bonds6

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

2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide (PubChem CID 35397747) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
PubChem CID35397747
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC Name2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide
SMILESCOc1ccc(Sc2cc3c(cc2NC(=O)Cc2ccc(Cl)cc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C24H22ClN3O3S/c1-27-20-13-19(26-23(29)12-15-4-6-16(25)7-5-15)22(14-21(20)28(2)24(27)30)32-18-10-8-17(31-3)9-11-18/h4-11,13-14H,12H2,1-3H3,(H,26,29)
InChIKeyFQUXEBNEXAVKQP-UHFFFAOYSA-N
XLogP4.87
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 35397739
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-(4-methoxyphenyl)acetamide
CID 22433047
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-(4-methoxyphenyl)acetamide
CID 50792273
N-(2-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide
CID 81028782
2,4-difluoro-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 50772625
2-(4-chlorophenyl)-N-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 23096738
N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 110772315
4-chloro-N-[6-(4-methoxyphenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824244
N-[(E)-[5-(4-chlorophenyl)sulfanylthiophen-2-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126022213
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 7491964
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide (CID 35397747) is 2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide is COc1ccc(Sc2cc3c(cc2NC(=O)Cc2ccc(Cl)cc2)n(C)c(=O)n3C)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide?
The InChIKey is FQUXEBNEXAVKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-27-20-13-19(26-23(29)12-15-4-6-16(25)7-5-15)22(14-21(20)28(2)24(27)30)32-18-10-8-17(31-3)9-11-18/h4-11,13-14H,12H2,1-3H3,(H,26,29).
What are the key properties of 2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide?
2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide has a molecular weight of 467.98 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]acetamide is sourced from PubChem (CID 35397747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).