2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one

C17H18N4O2 — CID 59262411

IUPAC2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one
SMILESCOc1cncc(-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C17H18N4O2/c1-17(15(22)21(2)16(18)20-17)13-6-4-5-11(7-13)12-8-14(23-3)10-19-9-12/h4-10H,1-3H3,(H2,18,20)
InChIKeyWKOIYYLITCLGJM-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one

2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one (PubChem CID 59262411) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one
PubChem CID59262411
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one
SMILESCOc1cncc(-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)c1
InChIInChI=1S/C17H18N4O2/c1-17(15(22)21(2)16(18)20-17)13-6-4-5-11(7-13)12-8-14(23-3)10-19-9-12/h4-10H,1-3H3,(H2,18,20)
InChIKeyWKOIYYLITCLGJM-UHFFFAOYSA-N
XLogP1.76
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.76
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-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one (CID 59262411) is 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one is COc1cncc(-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)c1.
What is the InChIKey of 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one?
The InChIKey is WKOIYYLITCLGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-17(15(22)21(2)16(18)20-17)13-6-4-5-11(7-13)12-8-14(23-3)10-19-9-12/h4-10H,1-3H3,(H2,18,20).
What are the key properties of 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one?
2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one has a molecular weight of 310.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-3,5-dimethylimidazol-4-one is sourced from PubChem (CID 59262411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).