2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole

C13H14N2O — CID 6604823

IUPAC2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole
SMILESCC[C@]1(c2ncc[nH]2)Cc2ccccc2O1
InChIInChI=1S/C13H14N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-8H,2,9H2,1H3,(H,14,15)/t13-/m1/s1
InChIKeyJCWVNNMJXQJVNC-CYBMUJFWSA-N
MW214.27 g/mol
LogP2.65
Rot. Bonds2

About 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole

2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole (PubChem CID 6604823) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole
PubChem CID6604823
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole
SMILESCC[C@]1(c2ncc[nH]2)Cc2ccccc2O1
InChIInChI=1S/C13H14N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-8H,2,9H2,1H3,(H,14,15)/t13-/m1/s1
InChIKeyJCWVNNMJXQJVNC-CYBMUJFWSA-N
XLogP2.65
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole?
The IUPAC name of 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole (CID 6604823) is 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole.
What is the SMILES notation for 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole?
The canonical SMILES for 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole is CC[C@]1(c2ncc[nH]2)Cc2ccccc2O1.
What is the InChIKey of 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole?
The InChIKey is JCWVNNMJXQJVNC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13/h3-8H,2,9H2,1H3,(H,14,15)/t13-/m1/s1.
What are the key properties of 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole?
2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole has a molecular weight of 214.27 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-ethyl-3H-1-benzofuran-2-yl]-1H-imidazole is sourced from PubChem (CID 6604823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).