imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone

C13H14N2O4 — CID 1377783

IUPACimidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2ccnc2)cc(OC)c1OC
InChIInChI=1S/C13H14N2O4/c1-17-10-6-9(7-11(18-2)12(10)19-3)13(16)15-5-4-14-8-15/h4-8H,1-3H3
InChIKeyIMEZTARHGGCYHX-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.60
Rot. Bonds4

About imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone

imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 1377783) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Nameimidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone
PubChem CID1377783
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Nameimidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)n2ccnc2)cc(OC)c1OC
InChIInChI=1S/C13H14N2O4/c1-17-10-6-9(7-11(18-2)12(10)19-3)13(16)15-5-4-14-8-15/h4-8H,1-3H3
InChIKeyIMEZTARHGGCYHX-UHFFFAOYSA-N
XLogP1.60
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone (CID 1377783) is imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)n2ccnc2)cc(OC)c1OC.
What is the InChIKey of imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is IMEZTARHGGCYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-17-10-6-9(7-11(18-2)12(10)19-3)13(16)15-5-4-14-8-15/h4-8H,1-3H3.
What are the key properties of imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone?
imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 262.27 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 1377783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).