(2-methoxyphenyl)methyl imidazole-1-carboxylate

C12H12N2O3 — CID 170657703

IUPAC(2-methoxyphenyl)methyl imidazole-1-carboxylate
SMILESCOc1ccccc1COC(=O)n1ccnc1
InChIInChI=1S/C12H12N2O3/c1-16-11-5-3-2-4-10(11)8-17-12(15)14-7-6-13-9-14/h2-7,9H,8H2,1H3
InChIKeyGXPYUTWHALLESX-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.08
Rot. Bonds3

About (2-methoxyphenyl)methyl imidazole-1-carboxylate

(2-methoxyphenyl)methyl imidazole-1-carboxylate (PubChem CID 170657703) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl imidazole-1-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl imidazole-1-carboxylate
PubChem CID170657703
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name(2-methoxyphenyl)methyl imidazole-1-carboxylate
SMILESCOc1ccccc1COC(=O)n1ccnc1
InChIInChI=1S/C12H12N2O3/c1-16-11-5-3-2-4-10(11)8-17-12(15)14-7-6-13-9-14/h2-7,9H,8H2,1H3
InChIKeyGXPYUTWHALLESX-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one
CID 82115600
(4-methoxyphenyl)methyl imidazole-1-carboxylate
CID 58630007
pyrimidin-4-ylmethyl imidazole-1-carboxylate
CID 134348493
2-(2-chlorophenyl)ethyl imidazole-1-carboxylate
CID 143792756
2-methoxyethyl imidazole-1-carboxylate
CID 10583275
(2-methylpyrazol-3-yl)methyl imidazole-1-carboxylate
CID 134348473
(4,5-dimethyl-2-nitrophenyl)methyl imidazole-1-carboxylate
CID 121346824
2-phenylethyl imidazole-1-carboxylate
CID 15371420
2-(2,6-dimethoxyphenoxy)-1-imidazol-1-ylethanone
CID 94274471
N-(4-imidazol-1-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 31409632
1-benzofuran-2-ylmethyl imidazole-1-carboxylate
CID 142027707
1-[1-(2-methoxyphenyl)ethenyl]imidazole
CID 3007441

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl imidazole-1-carboxylate?
The IUPAC name of (2-methoxyphenyl)methyl imidazole-1-carboxylate (CID 170657703) is (2-methoxyphenyl)methyl imidazole-1-carboxylate.
What is the SMILES notation for (2-methoxyphenyl)methyl imidazole-1-carboxylate?
The canonical SMILES for (2-methoxyphenyl)methyl imidazole-1-carboxylate is COc1ccccc1COC(=O)n1ccnc1.
What is the InChIKey of (2-methoxyphenyl)methyl imidazole-1-carboxylate?
The InChIKey is GXPYUTWHALLESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-11-5-3-2-4-10(11)8-17-12(15)14-7-6-13-9-14/h2-7,9H,8H2,1H3.
What are the key properties of (2-methoxyphenyl)methyl imidazole-1-carboxylate?
(2-methoxyphenyl)methyl imidazole-1-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl imidazole-1-carboxylate is sourced from PubChem (CID 170657703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).