2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol

C16H18FN5O — CID 15593724

IUPAC2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(C)(n1cncn1)C(O)(Cn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN5O/c1-15(2,22-12-19-10-20-22)16(23,9-21-8-7-18-11-21)13-3-5-14(17)6-4-13/h3-8,10-12,23H,9H2,1-2H3
InChIKeyLEYRZUYYSSDJOC-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.94
Rot. Bonds5

About 2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol

2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 15593724) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID15593724
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol
SMILESCC(C)(n1cncn1)C(O)(Cn1ccnc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN5O/c1-15(2,22-12-19-10-20-22)16(23,9-21-8-7-18-11-21)13-3-5-14(17)6-4-13/h3-8,10-12,23H,9H2,1-2H3
InChIKeyLEYRZUYYSSDJOC-UHFFFAOYSA-N
XLogP1.94
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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(4Z)-2-(4-fluorophenyl)-4-hydroxyimino-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
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[2-ethyl-1-(4-fluorophenyl)-1-hydroxy-2-(1,2,4-triazol-1-yl)butyl]phosphonic acid
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2,2-diethyl-3-(4-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of 2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol (CID 15593724) is 2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for 2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol is CC(C)(n1cncn1)C(O)(Cn1ccnc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is LEYRZUYYSSDJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-15(2,22-12-19-10-20-22)16(23,9-21-8-7-18-11-21)13-3-5-14(17)6-4-13/h3-8,10-12,23H,9H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol?
2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 315.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 15593724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).