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

C23H23N3O3 — CID 174579319

IUPAC2-amino-5-(1-hydroxy-3-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one
SMILESCOC1=CC(O)(C2(c3ccccc3)N=C(N)N(C)C2=O)CC(c2ccccc2)=C1
InChIInChI=1S/C23H23N3O3/c1-26-20(27)23(25-21(26)24,18-11-7-4-8-12-18)22(28)14-17(13-19(15-22)29-2)16-9-5-3-6-10-16/h3-13,15,28H,14H2,1-2H3,(H2,24,25)
InChIKeyBOAPFNBPSABMOR-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.42
Rot. Bonds4

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

2-amino-5-(1-hydroxy-3-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one (PubChem CID 174579319) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-amino-5-(1-hydroxy-3-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(1-hydroxy-3-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one
PubChem CID174579319
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-amino-5-(1-hydroxy-3-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one
SMILESCOC1=CC(O)(C2(c3ccccc3)N=C(N)N(C)C2=O)CC(c2ccccc2)=C1
InChIInChI=1S/C23H23N3O3/c1-26-20(27)23(25-21(26)24,18-11-7-4-8-12-18)22(28)14-17(13-19(15-22)29-2)16-9-5-3-6-10-16/h3-13,15,28H,14H2,1-2H3,(H2,24,25)
InChIKeyBOAPFNBPSABMOR-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-(4-hydroxy-1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one
CID 174564600
3-methoxy-1-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 170991680
1-fluoro-3-methoxy-5-phenylcyclohexa-2,4-dien-1-amine
CID 68728208
2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 16750245
2-amino-5-[3-(2,3-dimethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 155516817
3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide
CID 25063752
2-amino-5-cyclopentyl-3-methyl-5-phenylimidazol-4-one
CID 25063404
CID 58197419
CID 58197419
2-amino-5-ethyl-5-(1-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
CID 174572007
2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one
CID 59262421
2-amino-5-(4-hydroxyphenyl)-3-methyl-5-phenylimidazol-4-one
CID 70867323
2-amino-3-methyl-5-phenyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-4-one
CID 16750320

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-hydroxy-3-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-(1-hydroxy-3-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one (CID 174579319) is 2-amino-5-(1-hydroxy-3-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(1-hydroxy-3-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-(1-hydroxy-3-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one is COC1=CC(O)(C2(c3ccccc3)N=C(N)N(C)C2=O)CC(c2ccccc2)=C1.
What is the InChIKey of 2-amino-5-(1-hydroxy-3-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one?
The InChIKey is BOAPFNBPSABMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-26-20(27)23(25-21(26)24,18-11-7-4-8-12-18)22(28)14-17(13-19(15-22)29-2)16-9-5-3-6-10-16/h3-13,15,28H,14H2,1-2H3,(H2,24,25).
What are the key properties of 2-amino-5-(1-hydroxy-3-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one?
2-amino-5-(1-hydroxy-3-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 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-hydroxy-3-methoxy-5-phenylcyclohexa-2,4-dien-1-yl)-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 174579319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).