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

C12H12N2O — CID 12981870

IUPAC5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=NCC(Cc2cc3ccccc3o2)N1
InChIInChI=1S/C12H12N2O/c1-2-4-12-9(3-1)5-11(15-12)6-10-7-13-8-14-10/h1-5,8,10H,6-7H2,(H,13,14)
InChIKeyXYKLDBVIJCCWKG-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.98
Rot. Bonds2

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

5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 12981870) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID12981870
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESC1=NCC(Cc2cc3ccccc3o2)N1
InChIInChI=1S/C12H12N2O/c1-2-4-12-9(3-1)5-11(15-12)6-10-7-13-8-14-10/h1-5,8,10H,6-7H2,(H,13,14)
InChIKeyXYKLDBVIJCCWKG-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 5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole (CID 12981870) is 5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole is C1=NCC(Cc2cc3ccccc3o2)N1.
What is the InChIKey of 5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is XYKLDBVIJCCWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-4-12-9(3-1)5-11(15-12)6-10-7-13-8-14-10/h1-5,8,10H,6-7H2,(H,13,14).
What are the key properties of 5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole?
5-(1-benzofuran-2-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 5-(1-benzofuran-2-ylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 12981870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).