5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole

C17H20FN5O — CID 95223813

IUPAC5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole
SMILESCOc1ccc(-c2nccn2[C@H](c2ncnn2C)C(C)C)c(F)c1
InChIInChI=1S/C17H20FN5O/c1-11(2)15(17-20-10-21-22(17)3)23-8-7-19-16(23)13-6-5-12(24-4)9-14(13)18/h5-11,15H,1-4H3/t15-/m0/s1
InChIKeyVKNTVEAQOURTPF-HNNXBMFYSA-N
MW329.38 g/mol
LogP3.07
Rot. Bonds5

About 5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole

5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole (PubChem CID 95223813) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole
PubChem CID95223813
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole
SMILESCOc1ccc(-c2nccn2[C@H](c2ncnn2C)C(C)C)c(F)c1
InChIInChI=1S/C17H20FN5O/c1-11(2)15(17-20-10-21-22(17)3)23-8-7-19-16(23)13-6-5-12(24-4)9-14(13)18/h5-11,15H,1-4H3/t15-/m0/s1
InChIKeyVKNTVEAQOURTPF-HNNXBMFYSA-N
XLogP3.07
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole?
The IUPAC name of 5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole (CID 95223813) is 5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole is COc1ccc(-c2nccn2[C@H](c2ncnn2C)C(C)C)c(F)c1.
What is the InChIKey of 5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole?
The InChIKey is VKNTVEAQOURTPF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-11(2)15(17-20-10-21-22(17)3)23-8-7-19-16(23)13-6-5-12(24-4)9-14(13)18/h5-11,15H,1-4H3/t15-/m0/s1.
What are the key properties of 5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole?
5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole has a molecular weight of 329.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[2-(2-fluoro-4-methoxyphenyl)imidazol-1-yl]-2-methylpropyl]-1-methyl-1,2,4-triazole is sourced from PubChem (CID 95223813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).