4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine

C26H31F3N4O4S2 — CID 46096256

IUPAC4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine
SMILESO=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1C(F)(F)F)n2CCCN1CCOCC1)N1CCOCC1
InChIInChI=1S/C26H31F3N4O4S2/c27-26(28,29)22-5-2-1-4-20(22)19-38-25-30-23-18-21(39(34,35)32-12-16-37-17-13-32)6-7-24(23)33(25)9-3-8-31-10-14-36-15-11-31/h1-2,4-7,18H,3,8-17,19H2
InChIKeyKXAUFVOUTHNRHS-UHFFFAOYSA-N
MW584.69 g/mol
LogP4.09
Rot. Bonds9

About 4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine

4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine (PubChem CID 46096256) has the molecular formula C26H31F3N4O4S2 and a molecular weight of 584.69 g/mol. Its IUPAC name is 4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine
PubChem CID46096256
Molecular FormulaC26H31F3N4O4S2
Molecular Weight584.69 g/mol
Exact Mass584.17
IUPAC Name4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine
SMILESO=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1C(F)(F)F)n2CCCN1CCOCC1)N1CCOCC1
InChIInChI=1S/C26H31F3N4O4S2/c27-26(28,29)22-5-2-1-4-20(22)19-38-25-30-23-18-21(39(34,35)32-12-16-37-17-13-32)6-7-24(23)33(25)9-3-8-31-10-14-36-15-11-31/h1-2,4-7,18H,3,8-17,19H2
InChIKeyKXAUFVOUTHNRHS-UHFFFAOYSA-N
XLogP4.09
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.69
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine 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-[3-[5-morpholin-4-ylsulfonyl-2-[(2,4,5-trifluorophenyl)methylsulfanyl]benzimidazol-1-yl]propyl]morpholine
CID 46096125
4-[3-[5-morpholin-4-ylsulfonyl-2-[(2,4,6-trifluorophenyl)methylsulfanyl]benzimidazol-1-yl]propyl]morpholine
CID 46096128
4-[3-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-morpholin-4-ylsulfonylbenzimidazol-1-yl]propyl]morpholine
CID 46096215
4-[2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-(3-ethoxypropyl)benzimidazol-5-yl]sulfonylmorpholine
CID 46096431
4-[1-propyl-2-[(2,4,5-trifluorophenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine
CID 46096144
4-[2-[(2,3-difluorophenyl)methylsulfanyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
CID 24523596
2-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]benzonitrile
CID 16565225
4-[2-[(3,5-difluorophenyl)methylsulfanyl]-1-(3-ethoxypropyl)benzimidazol-5-yl]sulfonylmorpholine
CID 46096398
4-[1-(3-ethoxypropyl)-2-[(2,3,4-trifluorophenyl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine
CID 46096364
4-[2-[(2,3-difluorophenyl)methylsulfanyl]-1-(oxolan-2-ylmethyl)benzimidazol-5-yl]sulfonylmorpholine
CID 46096187
4-[2-[(4-tert-butylphenyl)methylsulfanyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
CID 16510123
3-[(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)sulfanylmethyl]benzonitrile
CID 46096075

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine (CID 46096256) is 4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine is O=S(=O)(c1ccc2c(c1)nc(SCc1ccccc1C(F)(F)F)n2CCCN1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine?
The InChIKey is KXAUFVOUTHNRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N4O4S2/c27-26(28,29)22-5-2-1-4-20(22)19-38-25-30-23-18-21(39(34,35)32-12-16-37-17-13-32)6-7-24(23)33(25)9-3-8-31-10-14-36-15-11-31/h1-2,4-7,18H,3,8-17,19H2.
What are the key properties of 4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine?
4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine has a molecular weight of 584.69 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-morpholin-4-ylsulfonyl-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 46096256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).