2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride

C17H15ClN2O — CID 57447514

IUPAC2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1ccc(-c2ccc3c(C4=NCCN4)occ3c2)cc1
InChIInChI=1S/C17H14N2O.ClH/c1-2-4-12(5-3-1)13-6-7-15-14(10-13)11-20-16(15)17-18-8-9-19-17;/h1-7,10-11H,8-9H2,(H,18,19);1H
InChIKeyRCJNSWNLTKAVOS-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.87
Rot. Bonds2

About 2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride

2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 57447514) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID57447514
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1ccc(-c2ccc3c(C4=NCCN4)occ3c2)cc1
InChIInChI=1S/C17H14N2O.ClH/c1-2-4-12(5-3-1)13-6-7-15-14(10-13)11-20-16(15)17-18-8-9-19-17;/h1-7,10-11H,8-9H2,(H,18,19);1H
InChIKeyRCJNSWNLTKAVOS-UHFFFAOYSA-N
XLogP3.87
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 57447514) is 2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride is Cl.c1ccc(-c2ccc3c(C4=NCCN4)occ3c2)cc1.
What is the InChIKey of 2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is RCJNSWNLTKAVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O.ClH/c1-2-4-12(5-3-1)13-6-7-15-14(10-13)11-20-16(15)17-18-8-9-19-17;/h1-7,10-11H,8-9H2,(H,18,19);1H.
What are the key properties of 2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 57447514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).