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

C14H16N2O4 — CID 58477856

IUPAC(2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(C)[nH]2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O4/c1-8-15-7-10(16-8)13(17)9-5-11(18-2)14(20-4)12(6-9)19-3/h5-7H,1-4H3,(H,15,16)
InChIKeyCNLHLLYLZUNOHU-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.97
Rot. Bonds5

About (2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 58477856) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID58477856
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cnc(C)[nH]2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O4/c1-8-15-7-10(16-8)13(17)9-5-11(18-2)14(20-4)12(6-9)19-3/h5-7H,1-4H3,(H,15,16)
InChIKeyCNLHLLYLZUNOHU-UHFFFAOYSA-N
XLogP1.97
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-methyl-1H-imidazol-5-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 (2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 58477856) is (2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cnc(C)[nH]2)cc(OC)c1OC.
What is the InChIKey of (2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is CNLHLLYLZUNOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-15-7-10(16-8)13(17)9-5-11(18-2)14(20-4)12(6-9)19-3/h5-7H,1-4H3,(H,15,16).
What are the key properties of (2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 276.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-imidazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 58477856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).