2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one

C23H20FN3O2 — CID 155517840

IUPAC2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCOc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1F
InChIInChI=1S/C23H20FN3O2/c1-27-21(28)23(26-22(27)25,16-9-4-3-5-10-16)17-11-6-8-15(14-17)18-12-7-13-19(29-2)20(18)24/h3-14H,1-2H3,(H2,25,26)
InChIKeyHQNQQPWBCXNWHL-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.53
Rot. Bonds4

About 2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one

2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 155517840) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID155517840
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCOc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1F
InChIInChI=1S/C23H20FN3O2/c1-27-21(28)23(26-22(27)25,16-9-4-3-5-10-16)17-11-6-8-15(14-17)18-12-7-13-19(29-2)20(18)24/h3-14H,1-2H3,(H2,25,26)
InChIKeyHQNQQPWBCXNWHL-UHFFFAOYSA-N
XLogP3.53
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one (CID 155517840) is 2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one is COc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1F.
What is the InChIKey of 2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is HQNQQPWBCXNWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-27-21(28)23(26-22(27)25,16-9-4-3-5-10-16)17-11-6-8-15(14-17)18-12-7-13-19(29-2)20(18)24/h3-14H,1-2H3,(H2,25,26).
What are the key properties of 2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 389.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 155517840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).