1-benzofuran-2-ylmethyl imidazole-1-carboxylate

C13H10N2O3 — CID 142027707

IUPAC1-benzofuran-2-ylmethyl imidazole-1-carboxylate
SMILESO=C(OCc1cc2ccccc2o1)n1ccnc1
InChIInChI=1S/C13H10N2O3/c16-13(15-6-5-14-9-15)17-8-11-7-10-3-1-2-4-12(10)18-11/h1-7,9H,8H2
InChIKeyJWXVAHULEHHSIN-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.81
Rot. Bonds2

About 1-benzofuran-2-ylmethyl imidazole-1-carboxylate

1-benzofuran-2-ylmethyl imidazole-1-carboxylate (PubChem CID 142027707) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-benzofuran-2-ylmethyl imidazole-1-carboxylate.

Molecular Properties

Compound Name1-benzofuran-2-ylmethyl imidazole-1-carboxylate
PubChem CID142027707
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name1-benzofuran-2-ylmethyl imidazole-1-carboxylate
SMILESO=C(OCc1cc2ccccc2o1)n1ccnc1
InChIInChI=1S/C13H10N2O3/c16-13(15-6-5-14-9-15)17-8-11-7-10-3-1-2-4-12(10)18-11/h1-7,9H,8H2
InChIKeyJWXVAHULEHHSIN-UHFFFAOYSA-N
XLogP2.81
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzofuran-2-ylmethyl imidazole-1-carboxylate 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

1-benzofuran-2-ylmethyl 2-ethylbutanoate
CID 86918284
(2-methylpyrazol-3-yl)methyl imidazole-1-carboxylate
CID 134348473
(4-methoxyphenyl)methyl imidazole-1-carboxylate
CID 58630007
2-phenylethyl imidazole-1-carboxylate
CID 15371420
2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
1-benzofuran-2-ylmethyl 4-acetylbenzoate
CID 86933494
1-benzofuran-2-ylmethyl 2-(4-fluorophenoxy)acetate
CID 134026431
1-benzofuran-2-ylmethyl 4-(methoxymethyl)benzoate
CID 34155031
1-benzofuran-2-ylmethyl formate
CID 18617223
1-benzofuran-2-ylmethyl 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 34155699
[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl imidazole-1-carboxylate
CID 137399890
N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 28833124

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-ylmethyl imidazole-1-carboxylate?
The IUPAC name of 1-benzofuran-2-ylmethyl imidazole-1-carboxylate (CID 142027707) is 1-benzofuran-2-ylmethyl imidazole-1-carboxylate.
What is the SMILES notation for 1-benzofuran-2-ylmethyl imidazole-1-carboxylate?
The canonical SMILES for 1-benzofuran-2-ylmethyl imidazole-1-carboxylate is O=C(OCc1cc2ccccc2o1)n1ccnc1.
What is the InChIKey of 1-benzofuran-2-ylmethyl imidazole-1-carboxylate?
The InChIKey is JWXVAHULEHHSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-13(15-6-5-14-9-15)17-8-11-7-10-3-1-2-4-12(10)18-11/h1-7,9H,8H2.
What are the key properties of 1-benzofuran-2-ylmethyl imidazole-1-carboxylate?
1-benzofuran-2-ylmethyl imidazole-1-carboxylate has a molecular weight of 242.23 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-ylmethyl imidazole-1-carboxylate is sourced from PubChem (CID 142027707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).