3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole

C21H20FN5O — CID 50962744

IUPAC3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole
SMILESCOc1cccc(-c2c(-c3ccccc3)ncn2C(C)c2nncn2C)c1F
InChIInChI=1S/C21H20FN5O/c1-14(21-25-24-13-26(21)2)27-12-23-19(15-8-5-4-6-9-15)20(27)16-10-7-11-17(28-3)18(16)22/h4-14H,1-3H3
InChIKeyUIVFBPKWMFJMIZ-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.10
Rot. Bonds5

About 3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole

3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole (PubChem CID 50962744) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole
PubChem CID50962744
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole
SMILESCOc1cccc(-c2c(-c3ccccc3)ncn2C(C)c2nncn2C)c1F
InChIInChI=1S/C21H20FN5O/c1-14(21-25-24-13-26(21)2)27-12-23-19(15-8-5-4-6-9-15)20(27)16-10-7-11-17(28-3)18(16)22/h4-14H,1-3H3
InChIKeyUIVFBPKWMFJMIZ-UHFFFAOYSA-N
XLogP4.10
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole
CID 50980699
3-[1-[5-(1-benzofuran-2-yl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole
CID 50948731
5-(4-fluoro-3-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-4-phenylimidazole
CID 95131006
5-(3,5-difluoro-4-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-4-phenylimidazole
CID 50966339
3-(2-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 29257652
5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole
CID 95124816
1-[3-(2-fluoro-3-methoxyphenyl)phenyl]ethanamine
CID 82812526
5-[(1S)-1-[5-(3-methoxy-4-methylphenyl)-4-phenylimidazol-1-yl]ethyl]-2H-tetrazole
CID 95190090
2-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 94638328
2-[3-(2-fluoro-3-methoxyphenyl)phenyl]propanoic acid
CID 176514362
3-(3-fluoro-5-methoxy-4-phenylphenyl)-4-methyl-1,2,4-triazole
CID 170557744
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
CID 50961650

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole (CID 50962744) is 3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole is COc1cccc(-c2c(-c3ccccc3)ncn2C(C)c2nncn2C)c1F.
What is the InChIKey of 3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole?
The InChIKey is UIVFBPKWMFJMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c1-14(21-25-24-13-26(21)2)27-12-23-19(15-8-5-4-6-9-15)20(27)16-10-7-11-17(28-3)18(16)22/h4-14H,1-3H3.
What are the key properties of 3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole?
3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole has a molecular weight of 377.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 50962744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).