N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide

C23H24N4O3S — CID 15990231

IUPACN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2NCc2ccccc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C23H24N4O3S/c1-16-9-11-18(12-10-16)31(29,30)25-20-14-22-21(26(2)23(28)27(22)3)13-19(20)24-15-17-7-5-4-6-8-17/h4-14,24-25H,15H2,1-3H3
InChIKeyDDICLHAZTPWZJH-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.60
Rot. Bonds6

About N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide

N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide (PubChem CID 15990231) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide
PubChem CID15990231
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2NCc2ccccc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C23H24N4O3S/c1-16-9-11-18(12-10-16)31(29,30)25-20-14-22-21(26(2)23(28)27(22)3)13-19(20)24-15-17-7-5-4-6-8-17/h4-14,24-25H,15H2,1-3H3
InChIKeyDDICLHAZTPWZJH-UHFFFAOYSA-N
XLogP3.60
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide (CID 15990231) is N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3c(cc2NCc2ccccc2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide?
The InChIKey is DDICLHAZTPWZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-16-9-11-18(12-10-16)31(29,30)25-20-14-22-21(26(2)23(28)27(22)3)13-19(20)24-15-17-7-5-4-6-8-17/h4-14,24-25H,15H2,1-3H3.
What are the key properties of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide?
N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide has a molecular weight of 436.54 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 15990231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).