N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide

C19H22F3N5O3S — CID 86282834

IUPACN-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2nc(NCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C19H22F3N5O3S/c1-10-16(11(2)30-26-10)12-7-14-17(25-18(24-14)23-9-19(20,21)22)15(8-12)31(28,29)27-13-5-3-4-6-13/h7-8,13,27H,3-6,9H2,1-2H3,(H2,23,24,25)
InChIKeyHDARKJYJRLDMQA-UHFFFAOYSA-N
MW457.48 g/mol
LogP4.03
Rot. Bonds6

About N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide

N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide (PubChem CID 86282834) has the molecular formula C19H22F3N5O3S and a molecular weight of 457.48 g/mol. Its IUPAC name is N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide
PubChem CID86282834
Molecular FormulaC19H22F3N5O3S
Molecular Weight457.48 g/mol
Exact Mass457.14
IUPAC NameN-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2nc(NCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C19H22F3N5O3S/c1-10-16(11(2)30-26-10)12-7-14-17(25-18(24-14)23-9-19(20,21)22)15(8-12)31(28,29)27-13-5-3-4-6-13/h7-8,13,27H,3-6,9H2,1-2H3,(H2,23,24,25)
InChIKeyHDARKJYJRLDMQA-UHFFFAOYSA-N
XLogP4.03
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-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

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide?
The IUPAC name of N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide (CID 86282834) is N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide.
What is the SMILES notation for N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide?
The canonical SMILES for N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide is Cc1noc(C)c1-c1cc(S(=O)(=O)NC2CCCC2)c2nc(NCC(F)(F)F)[nH]c2c1.
What is the InChIKey of N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide?
The InChIKey is HDARKJYJRLDMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O3S/c1-10-16(11(2)30-26-10)12-7-14-17(25-18(24-14)23-9-19(20,21)22)15(8-12)31(28,29)27-13-5-3-4-6-13/h7-8,13,27H,3-6,9H2,1-2H3,(H2,23,24,25).
What are the key properties of N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide?
N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide has a molecular weight of 457.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide is sourced from PubChem (CID 86282834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).