1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol

C15H19FN2O — CID 114833123

IUPAC1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol
SMILESCCn1ccnc1CC(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-3-18-9-8-17-14(18)11-15(2,19)10-12-4-6-13(16)7-5-12/h4-9,19H,3,10-11H2,1-2H3
InChIKeyZGWZQNNQCSQRNK-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.58
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol

1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 114833123) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol
PubChem CID114833123
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol
SMILESCCn1ccnc1CC(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-3-18-9-8-17-14(18)11-15(2,19)10-12-4-6-13(16)7-5-12/h4-9,19H,3,10-11H2,1-2H3
InChIKeyZGWZQNNQCSQRNK-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol (CID 114833123) is 1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol is CCn1ccnc1CC(C)(O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is ZGWZQNNQCSQRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-3-18-9-8-17-14(18)11-15(2,19)10-12-4-6-13(16)7-5-12/h4-9,19H,3,10-11H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol?
1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 262.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 114833123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).