2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one

C23H22N4O3 — CID 11589453

IUPAC2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1OC
InChIInChI=1S/C23H22N4O3/c1-27-21(28)23(26-22(27)24,18-9-10-19(29-2)20(13-18)30-3)17-8-4-6-15(12-17)16-7-5-11-25-14-16/h4-14H,1-3H3,(H2,24,26)
InChIKeyVJMOHDYSQCGYSS-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.80
Rot. Bonds5

About 2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one

2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one (PubChem CID 11589453) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
PubChem CID11589453
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1OC
InChIInChI=1S/C23H22N4O3/c1-27-21(28)23(26-22(27)24,18-9-10-19(29-2)20(13-18)30-3)17-8-4-6-15(12-17)16-7-5-11-25-14-16/h4-14H,1-3H3,(H2,24,26)
InChIKeyVJMOHDYSQCGYSS-UHFFFAOYSA-N
XLogP2.80
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one (CID 11589453) is 2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one is COc1ccc(C2(c3cccc(-c4cccnc4)c3)N=C(N)N(C)C2=O)cc1OC.
What is the InChIKey of 2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
The InChIKey is VJMOHDYSQCGYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-27-21(28)23(26-22(27)24,18-9-10-19(29-2)20(13-18)30-3)17-8-4-6-15(12-17)16-7-5-11-25-14-16/h4-14H,1-3H3,(H2,24,26).
What are the key properties of 2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one?
2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one has a molecular weight of 402.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3,4-dimethoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one is sourced from PubChem (CID 11589453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).