phenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone

C19H18N2O4 — CID 71625754

IUPACphenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone
SMILESCOc1cc(-c2cnc(C(=O)c3ccccc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-15-9-13(10-16(24-2)18(15)25-3)14-11-20-19(21-14)17(22)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)
InChIKeyGKBBFLYURSMDIF-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.33
Rot. Bonds6

About phenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone

phenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone (PubChem CID 71625754) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is phenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone
PubChem CID71625754
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namephenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone
SMILESCOc1cc(-c2cnc(C(=O)c3ccccc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O4/c1-23-15-9-13(10-16(24-2)18(15)25-3)14-11-20-19(21-14)17(22)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)
InChIKeyGKBBFLYURSMDIF-UHFFFAOYSA-N
XLogP3.33
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone?
The IUPAC name of phenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone (CID 71625754) is phenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone.
What is the SMILES notation for phenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone?
The canonical SMILES for phenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone is COc1cc(-c2cnc(C(=O)c3ccccc3)[nH]2)cc(OC)c1OC.
What is the InChIKey of phenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone?
The InChIKey is GKBBFLYURSMDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-15-9-13(10-16(24-2)18(15)25-3)14-11-20-19(21-14)17(22)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21).
What are the key properties of phenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone?
phenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone has a molecular weight of 338.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-yl]methanone is sourced from PubChem (CID 71625754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).