1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide

C24H23F6N3O3 — CID 22391699

IUPAC1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCc2ccccc2OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C24H23F6N3O3/c25-23(26,27)17-8-15(9-18(10-17)24(28,29)30)13-36-21-7-2-1-4-16(21)5-3-6-19(34)11-33-12-20(22(31)35)32-14-33/h1-2,4,7-10,12,14,19,34H,3,5-6,11,13H2,(H2,31,35)
InChIKeyYRJBZJYIVLSTMM-UHFFFAOYSA-N
MW515.45 g/mol
LogP4.98
Rot. Bonds10

About 1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide

1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide (PubChem CID 22391699) has the molecular formula C24H23F6N3O3 and a molecular weight of 515.45 g/mol. Its IUPAC name is 1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide
PubChem CID22391699
Molecular FormulaC24H23F6N3O3
Molecular Weight515.45 g/mol
Exact Mass515.16
IUPAC Name1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide
SMILESNC(=O)c1cn(CC(O)CCCc2ccccc2OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C24H23F6N3O3/c25-23(26,27)17-8-15(9-18(10-17)24(28,29)30)13-36-21-7-2-1-4-16(21)5-3-6-19(34)11-33-12-20(22(31)35)32-14-33/h1-2,4,7-10,12,14,19,34H,3,5-6,11,13H2,(H2,31,35)
InChIKeyYRJBZJYIVLSTMM-UHFFFAOYSA-N
XLogP4.98
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.45
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide?
The IUPAC name of 1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide (CID 22391699) is 1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide is NC(=O)c1cn(CC(O)CCCc2ccccc2OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide?
The InChIKey is YRJBZJYIVLSTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F6N3O3/c25-23(26,27)17-8-15(9-18(10-17)24(28,29)30)13-36-21-7-2-1-4-16(21)5-3-6-19(34)11-33-12-20(22(31)35)32-14-33/h1-2,4,7-10,12,14,19,34H,3,5-6,11,13H2,(H2,31,35).
What are the key properties of 1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide?
1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide has a molecular weight of 515.45 g/mol, XLogP of 4.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]-2-hydroxypentyl]imidazole-4-carboxamide is sourced from PubChem (CID 22391699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).