3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol

C22H20ClF3N4OS — CID 23724124

IUPAC3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
SMILESOCCCn1c(CCNc2nc(-c3ccc(Cl)cc3)cs2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H20ClF3N4OS/c23-16-5-2-14(3-6-16)18-13-32-21(29-18)27-9-8-20-28-17-12-15(22(24,25)26)4-7-19(17)30(20)10-1-11-31/h2-7,12-13,31H,1,8-11H2,(H,27,29)
InChIKeyKRGBQPFQKUPSDK-UHFFFAOYSA-N
MW480.94 g/mol
LogP5.87
Rot. Bonds8

About 3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol

3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol (PubChem CID 23724124) has the molecular formula C22H20ClF3N4OS and a molecular weight of 480.94 g/mol. Its IUPAC name is 3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
PubChem CID23724124
Molecular FormulaC22H20ClF3N4OS
Molecular Weight480.94 g/mol
Exact Mass480.10
IUPAC Name3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol
SMILESOCCCn1c(CCNc2nc(-c3ccc(Cl)cc3)cs2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C22H20ClF3N4OS/c23-16-5-2-14(3-6-16)18-13-32-21(29-18)27-9-8-20-28-17-12-15(22(24,25)26)4-7-19(17)30(20)10-1-11-31/h2-7,12-13,31H,1,8-11H2,(H,27,29)
InChIKeyKRGBQPFQKUPSDK-UHFFFAOYSA-N
XLogP5.87
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.94
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-Fluoro-phenyl)-thiazol-2-ylamino]-2-[1-(4-methyl-benzyl)-1H-benzoimidazol-2-yl]-ethanol
CID 23724090
[4-(4-Chloro-3-nitro-phenyl)-thiazol-2-yl]-{1-[1-(4-methyl-benzyl)-5-trifluoromethyl-1H-benzoimidazol-2-yl]-ethyl}-amine
CID 23724083
3-(5-Chloro-2-{1-[4-(4-fluoro-phenyl)-thiazol-2-ylamino]-ethyl}-6-piperidin-1-yl-benzoimidazol-1-yl)-propan-1-ol
CID 23724099
3-(5,6-Dichloro-2-{1-[4-(4-chloro-phenyl)-thiazol-2-yl]-pyrrolidin-2-yl}-benzoimidazol-1-yl)-propan-1-ol
CID 23724109
[4-(4-Fluoro-phenyl)-thiazol-2-yl]-{1-[1-(4-methyl-benzyl)-5-trifluoromethyl-1H-benzoimidazol-2-yl]-ethyl}-amine
CID 23724125
3-(5-Chloro-2-{2-[4-(4-chloro-3-nitro-phenyl)-thiazol-2-ylamino]-ethyl}-6-piperidin-1-yl-benzoimidazol-1-yl)-propan-1-ol
CID 23724126
3-(2-{2-[4-(4-Fluoro-phenyl)-thiazol-2-ylamino]-ethyl}-5-trifluoromethyl-benzoimidazol-1-yl)-propan-1-ol
CID 23724157
4-p-tolyl-N-(2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)ethyl)thiazol-2-amine
CID 24817246
4-(4-fluorophenyl)-N-(2-(2-methyl-5-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)ethyl)thiazol-2-amine
CID 24817249
2-((4-p-tolylthiazol-2-yl)(3-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)propyl)amino)ethanol
CID 24817256
2-((3-(2,5-bis(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)propyl)(4-p-tolylthiazol-2-yl)amino)ethanol
CID 24817260
4-(3-chloro-4-nitrophenyl)-N-(2-(2-methyl-5-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)ethyl)thiazol-2-amine
CID 24819710

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol (CID 23724124) is 3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol is OCCCn1c(CCNc2nc(-c3ccc(Cl)cc3)cs2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol?
The InChIKey is KRGBQPFQKUPSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4OS/c23-16-5-2-14(3-6-16)18-13-32-21(29-18)27-9-8-20-28-17-12-15(22(24,25)26)4-7-19(17)30(20)10-1-11-31/h2-7,12-13,31H,1,8-11H2,(H,27,29).
What are the key properties of 3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol?
3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol has a molecular weight of 480.94 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]ethyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 23724124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).