2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one

C19H18FN3O2 — CID 70867252

IUPAC2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc(O)cc2)(c2ccc(F)c(C3CC3)c2)N=C1N
InChIInChI=1S/C19H18FN3O2/c1-23-17(25)19(22-18(23)21,12-4-7-14(24)8-5-12)13-6-9-16(20)15(10-13)11-2-3-11/h4-11,24H,2-3H2,1H3,(H2,21,22)
InChIKeyAWRNNSRZVHLIPH-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.44
Rot. Bonds3

About 2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one

2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one (PubChem CID 70867252) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one
PubChem CID70867252
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2ccc(O)cc2)(c2ccc(F)c(C3CC3)c2)N=C1N
InChIInChI=1S/C19H18FN3O2/c1-23-17(25)19(22-18(23)21,12-4-7-14(24)8-5-12)13-6-9-16(20)15(10-13)11-2-3-11/h4-11,24H,2-3H2,1H3,(H2,21,22)
InChIKeyAWRNNSRZVHLIPH-UHFFFAOYSA-N
XLogP2.44
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one (CID 70867252) is 2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one is CN1C(=O)C(c2ccc(O)cc2)(c2ccc(F)c(C3CC3)c2)N=C1N.
What is the InChIKey of 2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one?
The InChIKey is AWRNNSRZVHLIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-23-17(25)19(22-18(23)21,12-4-7-14(24)8-5-12)13-6-9-16(20)15(10-13)11-2-3-11/h4-11,24H,2-3H2,1H3,(H2,21,22).
What are the key properties of 2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one?
2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one has a molecular weight of 339.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-cyclopropyl-4-fluorophenyl)-5-(4-hydroxyphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 70867252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).