2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol

C23H24FN5O2 — CID 58204292

IUPAC2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol
SMILESCC(C)n1ncnc1-c1cn(CCO)c(-c2ccc(OCc3ccccc3)cc2F)n1
InChIInChI=1S/C23H24FN5O2/c1-16(2)29-23(25-15-26-29)21-13-28(10-11-30)22(27-21)19-9-8-18(12-20(19)24)31-14-17-6-4-3-5-7-17/h3-9,12-13,15-16,30H,10-11,14H2,1-2H3
InChIKeyZTCVAFRGQKHLLK-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.10
Rot. Bonds8

About 2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol

2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol (PubChem CID 58204292) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol
PubChem CID58204292
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol
SMILESCC(C)n1ncnc1-c1cn(CCO)c(-c2ccc(OCc3ccccc3)cc2F)n1
InChIInChI=1S/C23H24FN5O2/c1-16(2)29-23(25-15-26-29)21-13-28(10-11-30)22(27-21)19-9-8-18(12-20(19)24)31-14-17-6-4-3-5-7-17/h3-9,12-13,15-16,30H,10-11,14H2,1-2H3
InChIKeyZTCVAFRGQKHLLK-UHFFFAOYSA-N
XLogP4.10
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol (CID 58204292) is 2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol is CC(C)n1ncnc1-c1cn(CCO)c(-c2ccc(OCc3ccccc3)cc2F)n1.
What is the InChIKey of 2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol?
The InChIKey is ZTCVAFRGQKHLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-16(2)29-23(25-15-26-29)21-13-28(10-11-30)22(27-21)19-9-8-18(12-20(19)24)31-14-17-6-4-3-5-7-17/h3-9,12-13,15-16,30H,10-11,14H2,1-2H3.
What are the key properties of 2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol?
2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol has a molecular weight of 421.48 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-4-phenylmethoxyphenyl)-4-(2-propan-2-yl-1,2,4-triazol-3-yl)imidazol-1-yl]ethanol is sourced from PubChem (CID 58204292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).