N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide

C19H23N3O3S — CID 4789393

IUPACN,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1ccc(OC)cc1)n2C
InChIInChI=1S/C19H23N3O3S/c1-5-22(6-2)26(23,24)16-11-12-18-17(13-16)20-19(21(18)3)14-7-9-15(25-4)10-8-14/h7-13H,5-6H2,1-4H3
InChIKeyYZRFMLQAJVUPNT-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.28
Rot. Bonds6

About N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide

N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide (PubChem CID 4789393) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide
PubChem CID4789393
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1ccc(OC)cc1)n2C
InChIInChI=1S/C19H23N3O3S/c1-5-22(6-2)26(23,24)16-11-12-18-17(13-16)20-19(21(18)3)14-7-9-15(25-4)10-8-14/h7-13H,5-6H2,1-4H3
InChIKeyYZRFMLQAJVUPNT-UHFFFAOYSA-N
XLogP3.28
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-4-(5-methoxy-1-methylbenzimidazol-2-yl)aniline
CID 146024291
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 53064197
2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-1-methylbenzimidazole
CID 146024274
3-[5-(diethylsulfamoyl)benzimidazol-1-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 53064189
N-[5-(4-methoxyphenyl)-2-methyltriazol-4-yl]-N,4-dimethylbenzenesulfonamide
CID 177478760
2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol
CID 146024273
1-methyl-2-[4-(1-methyl-5-nitrobenzimidazol-2-yl)phenyl]-5-nitrobenzimidazole
CID 138618315
(2,4-dimethylphenyl) 3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoate
CID 39489569
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 40606681
2-(3-ethylsulfonyl-2-pyridinyl)-5-methoxy-1-methylbenzimidazole
CID 118581574
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 4676306
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide
CID 50801779

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide?
The IUPAC name of N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide (CID 4789393) is N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1ccc(OC)cc1)n2C.
What is the InChIKey of N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide?
The InChIKey is YZRFMLQAJVUPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-5-22(6-2)26(23,24)16-11-12-18-17(13-16)20-19(21(18)3)14-7-9-15(25-4)10-8-14/h7-13H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide?
N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methoxyphenyl)-1-methylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 4789393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).