1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole

C14H14FN5O — CID 118870171

IUPAC1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole
SMILESCOc1cc(F)ccc1-n1cc(Cn2ccnc2C)nn1
InChIInChI=1S/C14H14FN5O/c1-10-16-5-6-19(10)8-12-9-20(18-17-12)13-4-3-11(15)7-14(13)21-2/h3-7,9H,8H2,1-2H3
InChIKeyVAYNXGJHBAWNOK-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.97
Rot. Bonds4

About 1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole

1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole (PubChem CID 118870171) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole
PubChem CID118870171
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole
SMILESCOc1cc(F)ccc1-n1cc(Cn2ccnc2C)nn1
InChIInChI=1S/C14H14FN5O/c1-10-16-5-6-19(10)8-12-9-20(18-17-12)13-4-3-11(15)7-14(13)21-2/h3-7,9H,8H2,1-2H3
InChIKeyVAYNXGJHBAWNOK-UHFFFAOYSA-N
XLogP1.97
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole (CID 118870171) is 1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole is COc1cc(F)ccc1-n1cc(Cn2ccnc2C)nn1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole?
The InChIKey is VAYNXGJHBAWNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c1-10-16-5-6-19(10)8-12-9-20(18-17-12)13-4-3-11(15)7-14(13)21-2/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole?
1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole has a molecular weight of 287.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]triazole is sourced from PubChem (CID 118870171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).