1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate

C14H16N2O5 — CID 29066

IUPAC1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)OCc2cnc[nH]2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O5/c1-18-11-4-9(5-12(19-2)13(11)20-3)14(17)21-7-10-6-15-8-16-10/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyWOLOFGRHNULQTR-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.79
Rot. Bonds6

About 1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate

1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate (PubChem CID 29066) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate
PubChem CID29066
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)OCc2cnc[nH]2)cc(OC)c1OC
InChIInChI=1S/C14H16N2O5/c1-18-11-4-9(5-12(19-2)13(11)20-3)14(17)21-7-10-6-15-8-16-10/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyWOLOFGRHNULQTR-UHFFFAOYSA-N
XLogP1.79
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-(4-Carbomethoxyphenoxy)ethyl]-1H-imidazole
CID 10014793
4-[2-(4-Ethoxycarbonylphenoxy)ethyl]-1H-imidazole
CID 10848915
methyl 4-[3-(1H-imidazol-5-yl)propoxy]benzoate
CID 10825231
2-(1H-Imidazol-5-ylmethylene)-6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 23644754
(1H-Imidazol-5-yl)methyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
CID 29065
[4-Methoxy-3-[(3-methyl-2-nitroimidazol-4-yl)methoxy]phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 137637800
(E)-3-(1-methylimidazol-4-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90666476
(E)-3-(1H-imidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90666477
(E)-1-(3,4-dimethoxyphenyl)-3-(1H-imidazol-5-yl)prop-2-en-1-one
CID 90666472
(E)-3-(1H-imidazol-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90666473
3-(1H-imidazol-5-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 90666474
(E)-3-(3-methylimidazol-4-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 90666475

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate?
The IUPAC name of 1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate (CID 29066) is 1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate.
What is the SMILES notation for 1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate?
The canonical SMILES for 1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate is COc1cc(C(=O)OCc2cnc[nH]2)cc(OC)c1OC.
What is the InChIKey of 1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate?
The InChIKey is WOLOFGRHNULQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-18-11-4-9(5-12(19-2)13(11)20-3)14(17)21-7-10-6-15-8-16-10/h4-6,8H,7H2,1-3H3,(H,15,16).
What are the key properties of 1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate?
1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate has a molecular weight of 292.29 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 29066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).