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

C27H27N3O3 — CID 86273112

IUPAC2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one
SMILESCOc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C4CCOCC4)C3=O)c2)c1
InChIInChI=1S/C27H27N3O3/c1-32-24-12-6-8-20(18-24)19-7-5-11-22(17-19)27(21-9-3-2-4-10-21)25(31)30(26(28)29-27)23-13-15-33-16-14-23/h2-12,17-18,23H,13-16H2,1H3,(H2,28,29)
InChIKeyZJGDHDGFYURDGA-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.94
Rot. Bonds5

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

2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one (PubChem CID 86273112) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one
PubChem CID86273112
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one
SMILESCOc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C4CCOCC4)C3=O)c2)c1
InChIInChI=1S/C27H27N3O3/c1-32-24-12-6-8-20(18-24)19-7-5-11-22(17-19)27(21-9-3-2-4-10-21)25(31)30(26(28)29-27)23-13-15-33-16-14-23/h2-12,17-18,23H,13-16H2,1H3,(H2,28,29)
InChIKeyZJGDHDGFYURDGA-UHFFFAOYSA-N
XLogP3.94
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.94
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-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one (CID 86273112) is 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one is COc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C4CCOCC4)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one?
The InChIKey is ZJGDHDGFYURDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-32-24-12-6-8-20(18-24)19-7-5-11-22(17-19)27(21-9-3-2-4-10-21)25(31)30(26(28)29-27)23-13-15-33-16-14-23/h2-12,17-18,23H,13-16H2,1H3,(H2,28,29).
What are the key properties of 2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one?
2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one has a molecular weight of 441.53 g/mol, XLogP of 3.94, 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-methoxyphenyl)phenyl]-3-(oxan-4-yl)-5-phenylimidazol-4-one is sourced from PubChem (CID 86273112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).