2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one

C26H27N3O3 — CID 86275287

IUPAC2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one
SMILESCOc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(Cc3c(C)cccc3C)C2=O)cc1
InChIInChI=1S/C26H27N3O3/c1-17-6-5-7-18(2)23(17)16-29-24(30)26(28-25(29)27,19-8-12-21(31-3)13-9-19)20-10-14-22(32-4)15-11-20/h5-15H,16H2,1-4H3,(H2,27,28)
InChIKeyDUHIAUWGTFTIDJ-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.92
Rot. Bonds6

About 2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one

2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one (PubChem CID 86275287) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one
PubChem CID86275287
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one
SMILESCOc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(Cc3c(C)cccc3C)C2=O)cc1
InChIInChI=1S/C26H27N3O3/c1-17-6-5-7-18(2)23(17)16-29-24(30)26(28-25(29)27,19-8-12-21(31-3)13-9-19)20-10-14-22(32-4)15-11-20/h5-15H,16H2,1-4H3,(H2,27,28)
InChIKeyDUHIAUWGTFTIDJ-UHFFFAOYSA-N
XLogP3.92
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one (CID 86275287) is 2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one is COc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(Cc3c(C)cccc3C)C2=O)cc1.
What is the InChIKey of 2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one?
The InChIKey is DUHIAUWGTFTIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-6-5-7-18(2)23(17)16-29-24(30)26(28-25(29)27,19-8-12-21(31-3)13-9-19)20-10-14-22(32-4)15-11-20/h5-15H,16H2,1-4H3,(H2,27,28).
What are the key properties of 2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one?
2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one has a molecular weight of 429.52 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2,6-dimethylphenyl)methyl]-5,5-bis(4-methoxyphenyl)imidazol-4-one is sourced from PubChem (CID 86275287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).