3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide

C21H22N4O3S — CID 46379509

IUPAC3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide
SMILESCc1ccc2nc(CCc3ccc(NS(=O)(=O)c4c(C)noc4C)cc3)[nH]c2c1
InChIInChI=1S/C21H22N4O3S/c1-13-4-10-18-19(12-13)23-20(22-18)11-7-16-5-8-17(9-6-16)25-29(26,27)21-14(2)24-28-15(21)3/h4-6,8-10,12,25H,7,11H2,1-3H3,(H,22,23)
InChIKeyJROHSEVBEZMFJR-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.06
Rot. Bonds6

About 3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide (PubChem CID 46379509) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide
PubChem CID46379509
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide
SMILESCc1ccc2nc(CCc3ccc(NS(=O)(=O)c4c(C)noc4C)cc3)[nH]c2c1
InChIInChI=1S/C21H22N4O3S/c1-13-4-10-18-19(12-13)23-20(22-18)11-7-16-5-8-17(9-6-16)25-29(26,27)21-14(2)24-28-15(21)3/h4-6,8-10,12,25H,7,11H2,1-3H3,(H,22,23)
InChIKeyJROHSEVBEZMFJR-UHFFFAOYSA-N
XLogP4.06
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-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

4-ethoxy-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972147
3,5-dimethyl-N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]-1,2-oxazole-4-sulfonamide;2,2,2-trifluoroacetic acid
CID 142062521
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-phenylacetamide
CID 46290758
3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-sulfonamide
CID 6621829
4-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 145173276
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290730
3,5-dimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1,2-oxazole-4-sulfonamide
CID 50796746
2-cyclopentyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]acetamide
CID 46290733
6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 64723336
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
N-(4-ethylsulfanylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110778642

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide (CID 46379509) is 3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide is Cc1ccc2nc(CCc3ccc(NS(=O)(=O)c4c(C)noc4C)cc3)[nH]c2c1.
What is the InChIKey of 3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is JROHSEVBEZMFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-13-4-10-18-19(12-13)23-20(22-18)11-7-16-5-8-17(9-6-16)25-29(26,27)21-14(2)24-28-15(21)3/h4-6,8-10,12,25H,7,11H2,1-3H3,(H,22,23).
What are the key properties of 3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 410.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 46379509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).