2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide

C23H30N4O3S — CID 112804495

IUPAC2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
SMILESCCn1c(CNC(c2ccc(OC)cc2)C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H30N4O3S/c1-5-27-21-13-12-19(31(28,29)26(2)3)14-20(21)25-22(27)15-24-23(16-6-7-16)17-8-10-18(30-4)11-9-17/h8-14,16,23-24H,5-7,15H2,1-4H3
InChIKeyRZWJXOVXTLCZMX-UHFFFAOYSA-N
MW442.59 g/mol
LogP3.56
Rot. Bonds9

About 2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide

2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide (PubChem CID 112804495) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
PubChem CID112804495
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
SMILESCCn1c(CNC(c2ccc(OC)cc2)C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C23H30N4O3S/c1-5-27-21-13-12-19(31(28,29)26(2)3)14-20(21)25-22(27)15-24-23(16-6-7-16)17-8-10-18(30-4)11-9-17/h8-14,16,23-24H,5-7,15H2,1-4H3
InChIKeyRZWJXOVXTLCZMX-UHFFFAOYSA-N
XLogP3.56
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-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

1-ethyl-2-[[[(1R)-1-(2-methoxyphenyl)ethyl]amino]methyl]-N,N-dimethylbenzimidazole-5-sulfonamide
CID 40718282
methyl (2S)-2-cyclopropyl-2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methylamino]propanoate
CID 95785815
[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl cyclopentanecarboxylate
CID 8011839
2-[[[4-(difluoromethoxy)phenyl]methyl-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 27218097
N,N-dimethyl-1-propyl-2-[(1-pyridin-3-ylethylamino)methyl]benzimidazole-5-sulfonamide
CID 112801808
1-ethyl-N,N-dimethyl-2-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]benzimidazole-5-sulfonamide
CID 56574630
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 51156099
N-butan-2-yl-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-methylpropanamide
CID 75807833
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 25334806
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
CID 46652516
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 24559345
1-ethyl-N,N-dimethyl-2-(quinolin-4-ylsulfanylmethyl)benzimidazole-5-sulfonamide
CID 56583559

Frequently Asked Questions

What is the IUPAC name of 2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide?
The IUPAC name of 2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide (CID 112804495) is 2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide?
The canonical SMILES for 2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide is CCn1c(CNC(c2ccc(OC)cc2)C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide?
The InChIKey is RZWJXOVXTLCZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-5-27-21-13-12-19(31(28,29)26(2)3)14-20(21)25-22(27)15-24-23(16-6-7-16)17-8-10-18(30-4)11-9-17/h8-14,16,23-24H,5-7,15H2,1-4H3.
What are the key properties of 2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide?
2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide has a molecular weight of 442.59 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[cyclopropyl-(4-methoxyphenyl)methyl]amino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 112804495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).