2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide

C32H33N5O3S — CID 170417275

IUPAC2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCCCc1nc2ccc(C)cc2n1Cc1cn(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c2ccccc12
InChIInChI=1S/C32H33N5O3S/c1-5-6-15-31-33-26-17-16-21(2)18-29(26)37(31)20-24-19-36(27-12-8-7-11-25(24)27)28-13-9-10-14-30(28)41(38,39)35-32-22(3)23(4)40-34-32/h7-14,16-19H,5-6,15,20H2,1-4H3,(H,34,35)
InChIKeyCHORCWLLXTXFOF-UHFFFAOYSA-N
MW567.72 g/mol
LogP7.09
Rot. Bonds9

About 2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide

2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 170417275) has the molecular formula C32H33N5O3S and a molecular weight of 567.72 g/mol. Its IUPAC name is 2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID170417275
Molecular FormulaC32H33N5O3S
Molecular Weight567.72 g/mol
Exact Mass567.23
IUPAC Name2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCCCc1nc2ccc(C)cc2n1Cc1cn(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c2ccccc12
InChIInChI=1S/C32H33N5O3S/c1-5-6-15-31-33-26-17-16-21(2)18-29(26)37(31)20-24-19-36(27-12-8-7-11-25(24)27)28-13-9-10-14-30(28)41(38,39)35-32-22(3)23(4)40-34-32/h7-14,16-19H,5-6,15,20H2,1-4H3,(H,34,35)
InChIKeyCHORCWLLXTXFOF-UHFFFAOYSA-N
XLogP7.09
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.72
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[[2-butyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 170417415
2-[3-[[2-butyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 170417416
2-[3-[[2-butyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]indol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 170417449
2-[3-[[2-butyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]indol-1-yl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 170417452
2-[3-[[2-butyl-5-(trifluoromethoxy)benzimidazol-1-yl]methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 170417547
2-[3-[[2-butyl-6-(trifluoromethoxy)benzimidazol-1-yl]methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 170417550
N-[2-[3-[[2-butyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]indol-1-yl]phenyl]sulfanyl-4,5-dimethyl-1,2-oxazol-3-amine
CID 170592085
N-[2-[3-[[2-butyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]indol-1-yl]phenyl]sulfanyl-4,5-dimethyl-1,2-oxazol-3-amine
CID 170592140
N-[2-[3-[[2-butyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]indol-1-yl]phenyl]sulfanyl-3,4-dimethyl-1,2-oxazol-5-amine
CID 170592179
N-[2-[3-[[2-butyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]indol-1-yl]phenyl]sulfanyl-3,4-dimethyl-1,2-oxazol-5-amine
CID 170592311
2-[4-[[2-butyl-4-(3,6-dimethylpyrazin-2-yl)imidazol-1-yl]methyl]-2-propylphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 44556301
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 54269026

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 170417275) is 2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide is CCCCc1nc2ccc(C)cc2n1Cc1cn(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c2ccccc12.
What is the InChIKey of 2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is CHORCWLLXTXFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N5O3S/c1-5-6-15-31-33-26-17-16-21(2)18-29(26)37(31)20-24-19-36(27-12-8-7-11-25(24)27)28-13-9-10-14-30(28)41(38,39)35-32-22(3)23(4)40-34-32/h7-14,16-19H,5-6,15,20H2,1-4H3,(H,34,35).
What are the key properties of 2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide?
2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 567.72 g/mol, XLogP of 7.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-butyl-6-methylbenzimidazol-1-yl)methyl]indol-1-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 170417275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).