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

C19H22F3N5O2S — CID 144744169

IUPACN-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfinamide
SMILESCc1noc(C)c1-c1cc(S(=O)NC2CCCC2)c2nc(NCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C19H22F3N5O2S/c1-10-16(11(2)29-26-10)12-7-14-17(25-18(24-14)23-9-19(20,21)22)15(8-12)30(28)27-13-5-3-4-6-13/h7-8,13,27H,3-6,9H2,1-2H3,(H2,23,24,25)
InChIKeyNPEVCQFYJYTPIC-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.36
Rot. Bonds6

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

N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfinamide (PubChem CID 144744169) has the molecular formula C19H22F3N5O2S and a molecular weight of 441.48 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-sulfinamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfinamide
PubChem CID144744169
Molecular FormulaC19H22F3N5O2S
Molecular Weight441.48 g/mol
Exact Mass441.14
IUPAC NameN-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfinamide
SMILESCc1noc(C)c1-c1cc(S(=O)NC2CCCC2)c2nc(NCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C19H22F3N5O2S/c1-10-16(11(2)29-26-10)12-7-14-17(25-18(24-14)23-9-19(20,21)22)15(8-12)30(28)27-13-5-3-4-6-13/h7-8,13,27H,3-6,9H2,1-2H3,(H2,23,24,25)
InChIKeyNPEVCQFYJYTPIC-UHFFFAOYSA-N
XLogP4.36
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfonamide
CID 86282834
4-(cyclopentylmethylsulfonyl)-N-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-amine
CID 146801414
ethyl 3-[[4-(cyclopentylamino)sulfanyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]amino]propanoate
CID 145336399
4-[(cyclopentylamino)methylsulfonyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-phenyl-1H-benzimidazol-2-amine
CID 149428185
4-[(E)-(cyclopentylamino)-(1-hydroxyethylidene)-λ4-sulfanyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dihydrobenzimidazole-2-thione
CID 144744112
N-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-1H-benzimidazol-2-yl]cyclopropanesulfonamide;ethane
CID 145336378
[4-(cyclopentylmethylsulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-2-yl]methanol
CID 158140170
3-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(oxan-4-ylamino)-1H-benzimidazol-4-yl]-4-methylbenzonitrile
CID 121293059
N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfanyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfinyl-1H-benzimidazole-4-sulfonamide;N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylsulfonyl-1H-benzimidazole-4-sulfonamide
CID 158881495
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3-hydroxy-3-methylbutyl)amino]methyl]-2-oxo-1,8-dihydrocyclohepta[b]pyridine-5-sulfinamide
CID 139397274
N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(methylamino)-2-oxo-1H-quinoline-5-sulfonamide
CID 118094016
4-N-cyclohexyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazoline-2,4-diamine
CID 69014628

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-sulfinamide?
The IUPAC name of N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfinamide (CID 144744169) is N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfinamide.
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-sulfinamide?
The canonical SMILES for N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfinamide is Cc1noc(C)c1-c1cc(S(=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-sulfinamide?
The InChIKey is NPEVCQFYJYTPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2S/c1-10-16(11(2)29-26-10)12-7-14-17(25-18(24-14)23-9-19(20,21)22)15(8-12)30(28)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-sulfinamide?
N-cyclopentyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,2,2-trifluoroethylamino)-1H-benzimidazole-4-sulfinamide has a molecular weight of 441.48 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 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-sulfinamide is sourced from PubChem (CID 144744169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).