1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide

C26H25F3N4O3S — CID 22391749

IUPAC1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCc2ccccc2OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cn1
InChIInChI=1S/C26H25F3N4O3S/c27-26(28,29)19-10-8-18(9-11-19)25-32-20(15-37-25)14-36-23-7-2-1-4-17(23)5-3-6-21(34)12-33-13-22(24(30)35)31-16-33/h1-2,4,7-11,13,15-16,21,34H,3,5-6,12,14H2,(H2,30,35)
InChIKeyXSWRRQYXUNMBEP-UHFFFAOYSA-N
MW530.57 g/mol
LogP5.09
Rot. Bonds11

About 1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide

1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide (PubChem CID 22391749) has the molecular formula C26H25F3N4O3S and a molecular weight of 530.57 g/mol. Its IUPAC name is 1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide
PubChem CID22391749
Molecular FormulaC26H25F3N4O3S
Molecular Weight530.57 g/mol
Exact Mass530.16
IUPAC Name1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCc2ccccc2OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cn1
InChIInChI=1S/C26H25F3N4O3S/c27-26(28,29)19-10-8-18(9-11-19)25-32-20(15-37-25)14-36-23-7-2-1-4-17(23)5-3-6-21(34)12-33-13-22(24(30)35)31-16-33/h1-2,4,7-11,13,15-16,21,34H,3,5-6,12,14H2,(H2,30,35)
InChIKeyXSWRRQYXUNMBEP-UHFFFAOYSA-N
XLogP5.09
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.57
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide?
The IUPAC name of 1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide (CID 22391749) is 1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide is NC(=O)c1cn(CC(O)CCCc2ccccc2OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cn1.
What is the InChIKey of 1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide?
The InChIKey is XSWRRQYXUNMBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O3S/c27-26(28,29)19-10-8-18(9-11-19)25-32-20(15-37-25)14-36-23-7-2-1-4-17(23)5-3-6-21(34)12-33-13-22(24(30)35)31-16-33/h1-2,4,7-11,13,15-16,21,34H,3,5-6,12,14H2,(H2,30,35).
What are the key properties of 1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide?
1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide has a molecular weight of 530.57 g/mol, XLogP of 5.09, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]pentyl]imidazole-4-carboxamide is sourced from PubChem (CID 22391749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).