(2-methylimidazol-1-yl) 2-methoxybenzoate

C12H12N2O3 — CID 56979486

IUPAC(2-methylimidazol-1-yl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)On1ccnc1C
InChIInChI=1S/C12H12N2O3/c1-9-13-7-8-14(9)17-12(15)10-5-3-4-6-11(10)16-2/h3-8H,1-2H3
InChIKeyHGHCEPOBDPOIPF-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.47
Rot. Bonds3

About (2-methylimidazol-1-yl) 2-methoxybenzoate

(2-methylimidazol-1-yl) 2-methoxybenzoate (PubChem CID 56979486) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2-methylimidazol-1-yl) 2-methoxybenzoate.

Molecular Properties

Compound Name(2-methylimidazol-1-yl) 2-methoxybenzoate
PubChem CID56979486
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(2-methylimidazol-1-yl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)On1ccnc1C
InChIInChI=1S/C12H12N2O3/c1-9-13-7-8-14(9)17-12(15)10-5-3-4-6-11(10)16-2/h3-8H,1-2H3
InChIKeyHGHCEPOBDPOIPF-UHFFFAOYSA-N
XLogP1.47
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethylimidazol-1-yl)-(2-methoxyphenyl)methanone
CID 110463081
ethane;methyl 2-methoxybenzoate
CID 178037044
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43905420
cobalt;(2-methylimidazol-1-yl) acetate
CID 174874912
2-methoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide;hydrochloride
CID 71691689
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2,3-dimethoxy-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112630
2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid
CID 82513098
[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
CID 11841339
2-methoxybenzoyl iodide
CID 139677083
CID 135043978
CID 135043978
N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylimidazol-1-yl)propanamide
CID 131931945

Frequently Asked Questions

What is the IUPAC name of (2-methylimidazol-1-yl) 2-methoxybenzoate?
The IUPAC name of (2-methylimidazol-1-yl) 2-methoxybenzoate (CID 56979486) is (2-methylimidazol-1-yl) 2-methoxybenzoate.
What is the SMILES notation for (2-methylimidazol-1-yl) 2-methoxybenzoate?
The canonical SMILES for (2-methylimidazol-1-yl) 2-methoxybenzoate is COc1ccccc1C(=O)On1ccnc1C.
What is the InChIKey of (2-methylimidazol-1-yl) 2-methoxybenzoate?
The InChIKey is HGHCEPOBDPOIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-9-13-7-8-14(9)17-12(15)10-5-3-4-6-11(10)16-2/h3-8H,1-2H3.
What are the key properties of (2-methylimidazol-1-yl) 2-methoxybenzoate?
(2-methylimidazol-1-yl) 2-methoxybenzoate has a molecular weight of 232.24 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazol-1-yl) 2-methoxybenzoate is sourced from PubChem (CID 56979486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).