1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one

C28H21ClFN3O2 — CID 166166147

IUPAC1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one
SMILESCn1ccn(-c2ccc(-c3cc(F)cc(-c4cccc(-c5cccc(N)c5)c4)c3O)cc2Cl)c1=O
InChIInChI=1S/C28H21ClFN3O2/c1-32-10-11-33(28(32)35)26-9-8-20(14-25(26)29)24-16-21(30)15-23(27(24)34)19-6-2-4-17(12-19)18-5-3-7-22(31)13-18/h2-16,34H,31H2,1H3
InChIKeyRKRPGZKAQRENDW-UHFFFAOYSA-N
MW485.95 g/mol
LogP6.26
Rot. Bonds4

About 1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one

1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one (PubChem CID 166166147) has the molecular formula C28H21ClFN3O2 and a molecular weight of 485.95 g/mol. Its IUPAC name is 1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one
PubChem CID166166147
Molecular FormulaC28H21ClFN3O2
Molecular Weight485.95 g/mol
Exact Mass485.13
IUPAC Name1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one
SMILESCn1ccn(-c2ccc(-c3cc(F)cc(-c4cccc(-c5cccc(N)c5)c4)c3O)cc2Cl)c1=O
InChIInChI=1S/C28H21ClFN3O2/c1-32-10-11-33(28(32)35)26-9-8-20(14-25(26)29)24-16-21(30)15-23(27(24)34)19-6-2-4-17(12-19)18-5-3-7-22(31)13-18/h2-16,34H,31H2,1H3
InChIKeyRKRPGZKAQRENDW-UHFFFAOYSA-N
XLogP6.26
TPSA73.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.95
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one (CID 166166147) is 1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one is Cn1ccn(-c2ccc(-c3cc(F)cc(-c4cccc(-c5cccc(N)c5)c4)c3O)cc2Cl)c1=O.
What is the InChIKey of 1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one?
The InChIKey is RKRPGZKAQRENDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClFN3O2/c1-32-10-11-33(28(32)35)26-9-8-20(14-25(26)29)24-16-21(30)15-23(27(24)34)19-6-2-4-17(12-19)18-5-3-7-22(31)13-18/h2-16,34H,31H2,1H3.
What are the key properties of 1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one?
1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one has a molecular weight of 485.95 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[3-(3-aminophenyl)phenyl]-5-fluoro-2-hydroxyphenyl]-2-chlorophenyl]-3-methylimidazol-2-one is sourced from PubChem (CID 166166147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).