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

C23H20ClN3O2S — CID 50773210

IUPAC2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide
SMILESCc1ccc(Sc2cc3c(cc2NC(=O)c2ccccc2Cl)n(C)c(=O)n3C)cc1
InChIInChI=1S/C23H20ClN3O2S/c1-14-8-10-15(11-9-14)30-21-13-20-19(26(2)23(29)27(20)3)12-18(21)25-22(28)16-6-4-5-7-17(16)24/h4-13H,1-3H3,(H,25,28)
InChIKeyWOJNQTLCSMRLFL-UHFFFAOYSA-N
MW437.95 g/mol
LogP5.24
Rot. Bonds4

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

2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide (PubChem CID 50773210) has the molecular formula C23H20ClN3O2S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide
PubChem CID50773210
Molecular FormulaC23H20ClN3O2S
Molecular Weight437.95 g/mol
Exact Mass437.10
IUPAC Name2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide
SMILESCc1ccc(Sc2cc3c(cc2NC(=O)c2ccccc2Cl)n(C)c(=O)n3C)cc1
InChIInChI=1S/C23H20ClN3O2S/c1-14-8-10-15(11-9-14)30-21-13-20-19(26(2)23(29)27(20)3)12-18(21)25-22(28)16-6-4-5-7-17(16)24/h4-13H,1-3H3,(H,25,28)
InChIKeyWOJNQTLCSMRLFL-UHFFFAOYSA-N
XLogP5.24
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.95
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]-4-fluorobenzamide
CID 50773255
4-tert-butyl-N-[6-(4-chlorophenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 35397459
3-methoxy-N-[6-(4-methoxyphenyl)sulfanyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 35397739
2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 46249111
N-(1,3-dimethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 35397571
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide
CID 46249057
5-amino-1,3-dimethyl-6-(4-methylphenyl)sulfanylbenzimidazol-2-one
CID 47001407
N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]-3,5-dimethylbenzenesulfonamide
CID 50772929
2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792040
2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824286
N-(4-methyl-2-phenylsulfanylphenyl)benzamide
CID 164683157
2-bromo-N-(1,3-diethyl-2-oxo-6-phenylsulfanylbenzimidazol-5-yl)benzamide
CID 50773135

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide (CID 50773210) is 2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide is Cc1ccc(Sc2cc3c(cc2NC(=O)c2ccccc2Cl)n(C)c(=O)n3C)cc1.
What is the InChIKey of 2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide?
The InChIKey is WOJNQTLCSMRLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2S/c1-14-8-10-15(11-9-14)30-21-13-20-19(26(2)23(29)27(20)3)12-18(21)25-22(28)16-6-4-5-7-17(16)24/h4-13H,1-3H3,(H,25,28).
What are the key properties of 2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide?
2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide has a molecular weight of 437.95 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide is sourced from PubChem (CID 50773210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).