2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one

C23H23N3O3 — CID 174564600

IUPAC2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one
SMILESCOC1(C2(c3ccccc3)N=C(N)N(C)C2=O)C=CC(O)=C(c2ccccc2)C1
InChIInChI=1S/C23H23N3O3/c1-26-20(28)23(25-21(26)24,17-11-7-4-8-12-17)22(29-2)14-13-19(27)18(15-22)16-9-5-3-6-10-16/h3-14,27H,15H2,1-2H3,(H2,24,25)
InChIKeyHYZZRVAXBJMRAD-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.98
Rot. Bonds4

About 2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one

2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one (PubChem CID 174564600) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one
PubChem CID174564600
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one
SMILESCOC1(C2(c3ccccc3)N=C(N)N(C)C2=O)C=CC(O)=C(c2ccccc2)C1
InChIInChI=1S/C23H23N3O3/c1-26-20(28)23(25-21(26)24,17-11-7-4-8-12-17)22(29-2)14-13-19(27)18(15-22)16-9-5-3-6-10-16/h3-14,27H,15H2,1-2H3,(H2,24,25)
InChIKeyHYZZRVAXBJMRAD-UHFFFAOYSA-N
XLogP2.98
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one (CID 174564600) is 2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one is COC1(C2(c3ccccc3)N=C(N)N(C)C2=O)C=CC(O)=C(c2ccccc2)C1.
What is the InChIKey of 2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one?
The InChIKey is HYZZRVAXBJMRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-26-20(28)23(25-21(26)24,17-11-7-4-8-12-17)22(29-2)14-13-19(27)18(15-22)16-9-5-3-6-10-16/h3-14,27H,15H2,1-2H3,(H2,24,25).
What are the key properties of 2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one?
2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one has a molecular weight of 389.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 174564600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).