3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide

C22H26N4O4S — CID 46344401

IUPAC3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(C)Cc2nc3cc(C(=O)N4CCCC4)ccc3n2C)c1
InChIInChI=1S/C22H26N4O4S/c1-24(31(28,29)18-8-6-7-17(14-18)30-3)15-21-23-19-13-16(9-10-20(19)25(21)2)22(27)26-11-4-5-12-26/h6-10,13-14H,4-5,11-12,15H2,1-3H3
InChIKeyHDTMGCBGGOGVAH-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.64
Rot. Bonds6

About 3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide

3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide (PubChem CID 46344401) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide
PubChem CID46344401
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)N(C)Cc2nc3cc(C(=O)N4CCCC4)ccc3n2C)c1
InChIInChI=1S/C22H26N4O4S/c1-24(31(28,29)18-8-6-7-17(14-18)30-3)15-21-23-19-13-16(9-10-20(19)25(21)2)22(27)26-11-4-5-12-26/h6-10,13-14H,4-5,11-12,15H2,1-3H3
InChIKeyHDTMGCBGGOGVAH-UHFFFAOYSA-N
XLogP2.64
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide 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

4-ethoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide
CID 50823927
4-cyclohexyl-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide
CID 50823840
2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50823989
2-[[(4-ethoxyphenyl)sulfonyl-methylamino]methyl]-1-methyl-N-propan-2-ylbenzimidazole-5-carboxamide
CID 50823912
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
1-methyl-3-(3-methylbutyl)-1-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]urea
CID 53104167
2-[[(4-ethylphenyl)sulfonyl-methylamino]methyl]-1-methyl-N-propan-2-ylbenzimidazole-5-carboxamide
CID 50823911
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984646
3-(3-chloro-4-methylphenyl)-1-methyl-1-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]urea
CID 53104137
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(4-tert-butylphenyl)-[4-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]piperazin-1-yl]methanone
CID 50822440

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide (CID 46344401) is 3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide is COc1cccc(S(=O)(=O)N(C)Cc2nc3cc(C(=O)N4CCCC4)ccc3n2C)c1.
What is the InChIKey of 3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is HDTMGCBGGOGVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-24(31(28,29)18-8-6-7-17(14-18)30-3)15-21-23-19-13-16(9-10-20(19)25(21)2)22(27)26-11-4-5-12-26/h6-10,13-14H,4-5,11-12,15H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide?
3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 442.54 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 46344401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).