2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole

C12H10N2O — CID 70052082

IUPAC2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole
SMILESCc1oc2ccccc2c1-c1ncc[nH]1
InChIInChI=1S/C12H10N2O/c1-8-11(12-13-6-7-14-12)9-4-2-3-5-10(9)15-8/h2-7H,1H3,(H,13,14)
InChIKeyXOKYUOPWXADAIB-UHFFFAOYSA-N
MW198.22 g/mol
LogP3.13
Rot. Bonds1

About 2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole

2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole (PubChem CID 70052082) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole
PubChem CID70052082
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole
SMILESCc1oc2ccccc2c1-c1ncc[nH]1
InChIInChI=1S/C12H10N2O/c1-8-11(12-13-6-7-14-12)9-4-2-3-5-10(9)15-8/h2-7H,1H3,(H,13,14)
InChIKeyXOKYUOPWXADAIB-UHFFFAOYSA-N
XLogP3.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole?
The IUPAC name of 2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole (CID 70052082) is 2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole.
What is the SMILES notation for 2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole?
The canonical SMILES for 2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole is Cc1oc2ccccc2c1-c1ncc[nH]1.
What is the InChIKey of 2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole?
The InChIKey is XOKYUOPWXADAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-8-11(12-13-6-7-14-12)9-4-2-3-5-10(9)15-8/h2-7H,1H3,(H,13,14).
What are the key properties of 2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole?
2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole has a molecular weight of 198.22 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-benzofuran-3-yl)-1H-imidazole is sourced from PubChem (CID 70052082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).