2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one

C23H22N4O3 — CID 86274802

IUPAC2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one
SMILESCOc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C23H22N4O3/c1-29-19-7-3-17(4-8-19)23(18-5-9-20(30-2)10-6-18)21(28)27(22(24)26-23)15-16-11-13-25-14-12-16/h3-14H,15H2,1-2H3,(H2,24,26)
InChIKeyQEDKEPYGPUKGOA-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.70
Rot. Bonds6

About 2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one

2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one (PubChem CID 86274802) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one
PubChem CID86274802
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one
SMILESCOc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(Cc3ccncc3)C2=O)cc1
InChIInChI=1S/C23H22N4O3/c1-29-19-7-3-17(4-8-19)23(18-5-9-20(30-2)10-6-18)21(28)27(22(24)26-23)15-16-11-13-25-14-12-16/h3-14H,15H2,1-2H3,(H2,24,26)
InChIKeyQEDKEPYGPUKGOA-UHFFFAOYSA-N
XLogP2.70
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one?
The IUPAC name of 2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one (CID 86274802) is 2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one?
The canonical SMILES for 2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one is COc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(Cc3ccncc3)C2=O)cc1.
What is the InChIKey of 2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one?
The InChIKey is QEDKEPYGPUKGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-29-19-7-3-17(4-8-19)23(18-5-9-20(30-2)10-6-18)21(28)27(22(24)26-23)15-16-11-13-25-14-12-16/h3-14H,15H2,1-2H3,(H2,24,26).
What are the key properties of 2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one?
2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one has a molecular weight of 402.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-bis(4-methoxyphenyl)-3-(pyridin-4-ylmethyl)imidazol-4-one is sourced from PubChem (CID 86274802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).