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

C24H23N3O3 — CID 155547003

IUPAC2-amino-5-[3-(3,4-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCOc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)cc1OC
InChIInChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,18-9-5-4-6-10-18)19-11-7-8-16(14-19)17-12-13-20(29-2)21(15-17)30-3/h4-15H,1-3H3,(H2,25,26)
InChIKeyPYKFZFKTVYQQKM-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.40
Rot. Bonds5

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

2-amino-5-[3-(3,4-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one (PubChem CID 155547003) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-amino-5-[3-(3,4-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3,4-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
PubChem CID155547003
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name2-amino-5-[3-(3,4-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
SMILESCOc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)cc1OC
InChIInChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,18-9-5-4-6-10-18)19-11-7-8-16(14-19)17-12-13-20(29-2)21(15-17)30-3/h4-15H,1-3H3,(H2,25,26)
InChIKeyPYKFZFKTVYQQKM-UHFFFAOYSA-N
XLogP3.40
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3,4-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3,4-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one (CID 155547003) is 2-amino-5-[3-(3,4-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3,4-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3,4-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one is COc1ccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)cc1OC.
What is the InChIKey of 2-amino-5-[3-(3,4-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
The InChIKey is PYKFZFKTVYQQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-27-22(28)24(26-23(27)25,18-9-5-4-6-10-18)19-11-7-8-16(14-19)17-12-13-20(29-2)21(15-17)30-3/h4-15H,1-3H3,(H2,25,26).
What are the key properties of 2-amino-5-[3-(3,4-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[3-(3,4-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one has a molecular weight of 401.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3,4-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 155547003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).