2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one

C17H17N3O2 — CID 45488109

IUPAC2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCOc1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C17H17N3O2/c1-20-15(21)17(19-16(20)18,12-7-4-3-5-8-12)13-9-6-10-14(11-13)22-2/h3-11H,1-2H3,(H2,18,19)
InChIKeyBNTCTQFWBJMVDZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.73
Rot. Bonds3

About 2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one

2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one (PubChem CID 45488109) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one
PubChem CID45488109
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCOc1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C17H17N3O2/c1-20-15(21)17(19-16(20)18,12-7-4-3-5-8-12)13-9-6-10-14(11-13)22-2/h3-11H,1-2H3,(H2,18,19)
InChIKeyBNTCTQFWBJMVDZ-UHFFFAOYSA-N
XLogP1.73
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one (CID 45488109) is 2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one is COc1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one?
The InChIKey is BNTCTQFWBJMVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20-15(21)17(19-16(20)18,12-7-4-3-5-8-12)13-9-6-10-14(11-13)22-2/h3-11H,1-2H3,(H2,18,19).
What are the key properties of 2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one?
2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one has a molecular weight of 295.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-methoxyphenyl)-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 45488109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).