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

C23H21N3O2 — CID 11581511

IUPAC2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCOc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)
InChIKeyLRYKHTDVFXMHEH-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.39
Rot. Bonds4

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

2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 11581511) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID11581511
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCOc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)
InChIKeyLRYKHTDVFXMHEH-UHFFFAOYSA-N
XLogP3.39
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6R)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
CID 16040323
(6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one
CID 17749735
(R)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 45488099
(S)-5-Adamantan-1-yl-2-amino-5-(4-methoxy-3-methyl-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 45488104
(5r)-2-Amino-5-[4-(Difluoromethoxy)phenyl]-5-[4-Fluoro-3-(5-Fluoropent-1-Yn-1-Yl)phenyl]-3-Methyl-3,5-Dihydro-4h-Imidazol-4-One
CID 52948140
(2e,5r)-2-Imino-5-(3'-Methoxybiphenyl-3-Yl)-3-Methyl-5-Phenylimidazolidin-4-One
CID 70681036
2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11537623
2-Amino-6-(3'-methoxy-biphenyl-3-yl)-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one
CID 11594966
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-propylphenyl)-1H-imidazol-5(4H)-one
CID 16038399
5-(1-Adamantyl)-2-amino-5-(4-methoxyphenyl)-3-methylimidazol-4-one
CID 16050550
5-Adamantan-1-yl-2-amino-5-(4-ethoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 16050551
5-Adamantan-1-yl-2-amino-5-(4-butoxy-phenyl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 16050552

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one (CID 11581511) is 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one is COc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is LRYKHTDVFXMHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25).
What are the key properties of 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 371.44 g/mol, XLogP of 3.39, 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-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 11581511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).