1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone

C14H12N2O2 — CID 43797958

IUPAC1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1nccn1CC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H12N2O2/c1-10-15-6-7-16(10)9-12(17)14-8-11-4-2-3-5-13(11)18-14/h2-8H,9H2,1H3
InChIKeyKFMVHPTYSHOOLM-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.82
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone

1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone (PubChem CID 43797958) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone
PubChem CID43797958
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone
SMILESCc1nccn1CC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H12N2O2/c1-10-15-6-7-16(10)9-12(17)14-8-11-4-2-3-5-13(11)18-14/h2-8H,9H2,1H3
InChIKeyKFMVHPTYSHOOLM-UHFFFAOYSA-N
XLogP2.82
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Imidazole, 2-(2-benzofuranyl)-1-methyl-, monohydrochloride
CID 3073597
1H-Imidazole, 2-(2-benofuranyl)-1-ethyl-, monohydrochloride
CID 3073603
Benzofuran-2-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 2952642
N-[3-(1H-imidazol-1-yl)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 3146651
7-fluoro-N,3-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 23723707
4-[2-(2-Imidazol-1-yl-ethyl)-benzofuran-5-yl]-benzonitrile
CID 10086941
2-Imidazol-1-yl-1-(4-phenylmethoxyphenyl)ethanone
CID 57775654
6-Imidazol-1-ylmethyl-benzofuran-2-carboxylic acid
CID 13663018
N,3-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-5-propyl-1-benzofuran-2-carboxamide
CID 23723308
N-(4-imidazol-1-ylbutyl)-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 46963604
2-[2-Ethyl-3-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazol-3-ium-1-yl]-1-(4-methoxyphenyl)ethanone bromide
CID 71726796
2-[2-Ethyl-3-[(2-phenyl-1-benzofuran-3-yl)methyl]imidazol-3-ium-1-yl]-1-(4-fluorophenyl)ethanone bromide
CID 71726798

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone (CID 43797958) is 1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone is Cc1nccn1CC(=O)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone?
The InChIKey is KFMVHPTYSHOOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10-15-6-7-16(10)9-12(17)14-8-11-4-2-3-5-13(11)18-14/h2-8H,9H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone?
1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone has a molecular weight of 240.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone is sourced from PubChem (CID 43797958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).