N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide

C30H29N3O5S — CID 118909781

IUPACN-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCc4ccccc4)c2)n(C)c(=O)n3C)cc1C
InChIInChI=1S/C30H29N3O5S/c1-20-13-14-25(15-21(20)2)39(35,36)31-26-17-27-28(33(4)30(34)32(27)3)18-29(26)38-24-12-8-11-23(16-24)37-19-22-9-6-5-7-10-22/h5-18,31H,19H2,1-4H3
InChIKeyZUSCTUWDRDQGKG-UHFFFAOYSA-N
MW543.65 g/mol
LogP5.67
Rot. Bonds8

About N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide

N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide (PubChem CID 118909781) has the molecular formula C30H29N3O5S and a molecular weight of 543.65 g/mol. Its IUPAC name is N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide
PubChem CID118909781
Molecular FormulaC30H29N3O5S
Molecular Weight543.65 g/mol
Exact Mass543.18
IUPAC NameN-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCc4ccccc4)c2)n(C)c(=O)n3C)cc1C
InChIInChI=1S/C30H29N3O5S/c1-20-13-14-25(15-21(20)2)39(35,36)31-26-17-27-28(33(4)30(34)32(27)3)18-29(26)38-24-12-8-11-23(16-24)37-19-22-9-6-5-7-10-22/h5-18,31H,19H2,1-4H3
InChIKeyZUSCTUWDRDQGKG-UHFFFAOYSA-N
XLogP5.67
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.65
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-1H-imidazole-5-sulfonamide
CID 118896635
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 50796897
N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 50796572
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 50796762
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-difluorobenzenesulfonamide
CID 50796821
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 50796868
N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide
CID 50796594
2-[[3-[[6-(3-butoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]sulfamoyl]benzoyl]amino]acetic acid
CID 156701164
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide
CID 50792964
N-[3-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 166335528
3-[(E)-6-aminohex-2-enoxy]-N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]benzenesulfonamide
CID 118896595
N-[1,3-dimethyl-6-[3-[4-(methylamino)butoxy]-5-propoxyphenoxy]-2-oxobenzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide
CID 118896837

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide (CID 118909781) is N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCc4ccccc4)c2)n(C)c(=O)n3C)cc1C.
What is the InChIKey of N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is ZUSCTUWDRDQGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5S/c1-20-13-14-25(15-21(20)2)39(35,36)31-26-17-27-28(33(4)30(34)32(27)3)18-29(26)38-24-12-8-11-23(16-24)37-19-22-9-6-5-7-10-22/h5-18,31H,19H2,1-4H3.
What are the key properties of N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide?
N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 543.65 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 118909781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).