2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one

C12H15N3O4 — CID 82996110

IUPAC2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one
SMILESCOc1cc(C2N=C(N)NC2=O)cc(OC)c1OC
InChIInChI=1S/C12H15N3O4/c1-17-7-4-6(5-8(18-2)10(7)19-3)9-11(16)15-12(13)14-9/h4-5,9H,1-3H3,(H3,13,14,15,16)
InChIKeyLGSUXMCRTRKZNH-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.20
Rot. Bonds4

About 2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one

2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one (PubChem CID 82996110) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one
PubChem CID82996110
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one
SMILESCOc1cc(C2N=C(N)NC2=O)cc(OC)c1OC
InChIInChI=1S/C12H15N3O4/c1-17-7-4-6(5-8(18-2)10(7)19-3)9-11(16)15-12(13)14-9/h4-5,9H,1-3H3,(H3,13,14,15,16)
InChIKeyLGSUXMCRTRKZNH-UHFFFAOYSA-N
XLogP0.20
TPSA95.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one (CID 82996110) is 2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one is COc1cc(C2N=C(N)NC2=O)cc(OC)c1OC.
What is the InChIKey of 2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one?
The InChIKey is LGSUXMCRTRKZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-17-7-4-6(5-8(18-2)10(7)19-3)9-11(16)15-12(13)14-9/h4-5,9H,1-3H3,(H3,13,14,15,16).
What are the key properties of 2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one?
2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one has a molecular weight of 265.27 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4,5-trimethoxyphenyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82996110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).