2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole

C12H12N2O — CID 58951718

IUPAC2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESc1cc(CC2=NCCN2)c2occc2c1
InChIInChI=1S/C12H12N2O/c1-2-9-4-7-15-12(9)10(3-1)8-11-13-5-6-14-11/h1-4,7H,5-6,8H2,(H,13,14)
InChIKeyDORSFMBJXHSYHP-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.98
Rot. Bonds2

About 2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole

2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 58951718) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID58951718
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESc1cc(CC2=NCCN2)c2occc2c1
InChIInChI=1S/C12H12N2O/c1-2-9-4-7-15-12(9)10(3-1)8-11-13-5-6-14-11/h1-4,7H,5-6,8H2,(H,13,14)
InChIKeyDORSFMBJXHSYHP-UHFFFAOYSA-N
XLogP1.98
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole (CID 58951718) is 2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole is c1cc(CC2=NCCN2)c2occc2c1.
What is the InChIKey of 2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is DORSFMBJXHSYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-9-4-7-15-12(9)10(3-1)8-11-13-5-6-14-11/h1-4,7H,5-6,8H2,(H,13,14).
What are the key properties of 2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole?
2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 200.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 58951718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).