3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole

C17H20FN5O2 — CID 95714266

IUPAC3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1[C@@H](C)n1ccnc1-c1cc(F)ccc1OC
InChIInChI=1S/C17H20FN5O2/c1-12(16-21-20-11-22(16)8-9-24-2)23-7-6-19-17(23)14-10-13(18)4-5-15(14)25-3/h4-7,10-12H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyMXCSZDPYKSNWSG-GFCCVEGCSA-N
MW345.38 g/mol
LogP2.55
Rot. Bonds7

About 3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole

3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole (PubChem CID 95714266) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
PubChem CID95714266
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole
SMILESCOCCn1cnnc1[C@@H](C)n1ccnc1-c1cc(F)ccc1OC
InChIInChI=1S/C17H20FN5O2/c1-12(16-21-20-11-22(16)8-9-24-2)23-7-6-19-17(23)14-10-13(18)4-5-15(14)25-3/h4-7,10-12H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyMXCSZDPYKSNWSG-GFCCVEGCSA-N
XLogP2.55
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole with MolForge

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Related Compounds

2-[1-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]imidazol-2-yl]pyridine
CID 95719859
(6R)-6-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylheptan-2-ol
CID 95207678
3-(2,5-difluorophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301014
5-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]pyridine
CID 104643364
3-(2-fluoro-6-methoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393517
2-chloro-4-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 91770169
3-(5-fluoro-2-nitrophenyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393589
3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 47003904
7-[3-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1H-imidazo[4,5-b]pyridine
CID 22380198
4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole
CID 115393656
1-(4-fluoro-2-methylphenyl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol
CID 111629906
3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole
CID 166492561

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The IUPAC name of 3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole (CID 95714266) is 3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole.
What is the SMILES notation for 3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The canonical SMILES for 3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole is COCCn1cnnc1[C@@H](C)n1ccnc1-c1cc(F)ccc1OC.
What is the InChIKey of 3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole?
The InChIKey is MXCSZDPYKSNWSG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-12(16-21-20-11-22(16)8-9-24-2)23-7-6-19-17(23)14-10-13(18)4-5-15(14)25-3/h4-7,10-12H,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of 3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole?
3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole has a molecular weight of 345.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[2-(5-fluoro-2-methoxyphenyl)imidazol-1-yl]ethyl]-4-(2-methoxyethyl)-1,2,4-triazole is sourced from PubChem (CID 95714266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).