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

C29H29FN4O3S — CID 70690542

IUPAC2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCCCCc1nc2ccc(F)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C29H29FN4O3S/c1-4-5-10-28-31-25-16-15-23(30)17-26(25)34(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)38(35,36)33-29-19(2)20(3)32-37-29/h6-9,11-17,33H,4-5,10,18H2,1-3H3
InChIKeyZQVLYQIYBWIADD-UHFFFAOYSA-N
MW532.64 g/mol
LogP6.64
Rot. Bonds9

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

2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 70690542) has the molecular formula C29H29FN4O3S and a molecular weight of 532.64 g/mol. Its IUPAC name is 2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID70690542
Molecular FormulaC29H29FN4O3S
Molecular Weight532.64 g/mol
Exact Mass532.19
IUPAC Name2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCCCCc1nc2ccc(F)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C29H29FN4O3S/c1-4-5-10-28-31-25-16-15-23(30)17-26(25)34(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)38(35,36)33-29-19(2)20(3)32-37-29/h6-9,11-17,33H,4-5,10,18H2,1-3H3
InChIKeyZQVLYQIYBWIADD-UHFFFAOYSA-N
XLogP6.64
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 70690542) is 2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is CCCCc1nc2ccc(F)cc2n1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1.
What is the InChIKey of 2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is ZQVLYQIYBWIADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN4O3S/c1-4-5-10-28-31-25-16-15-23(30)17-26(25)34(28)18-21-11-13-22(14-12-21)24-8-6-7-9-27(24)38(35,36)33-29-19(2)20(3)32-37-29/h6-9,11-17,33H,4-5,10,18H2,1-3H3.
What are the key properties of 2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide?
2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 532.64 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-butyl-6-fluorobenzimidazol-1-yl)methyl]phenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 70690542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).