2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride

C18H16BrClN2O2 — CID 161355740

IUPAC2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCOc1cc(Br)cc2cc(-c3ccccc3C3=NCCN3)oc12.Cl
InChIInChI=1S/C18H15BrN2O2.ClH/c1-22-16-10-12(19)8-11-9-15(23-17(11)16)13-4-2-3-5-14(13)18-20-6-7-21-18;/h2-5,8-10H,6-7H2,1H3,(H,20,21);1H
InChIKeyVONBLRPOXYNCON-UHFFFAOYSA-N
MW407.70 g/mol
LogP4.64
Rot. Bonds3

About 2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride

2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 161355740) has the molecular formula C18H16BrClN2O2 and a molecular weight of 407.70 g/mol. Its IUPAC name is 2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID161355740
Molecular FormulaC18H16BrClN2O2
Molecular Weight407.70 g/mol
Exact Mass406.01
IUPAC Name2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCOc1cc(Br)cc2cc(-c3ccccc3C3=NCCN3)oc12.Cl
InChIInChI=1S/C18H15BrN2O2.ClH/c1-22-16-10-12(19)8-11-9-15(23-17(11)16)13-4-2-3-5-14(13)18-20-6-7-21-18;/h2-5,8-10H,6-7H2,1H3,(H,20,21);1H
InChIKeyVONBLRPOXYNCON-UHFFFAOYSA-N
XLogP4.64
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.70
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 161355740) is 2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride is COc1cc(Br)cc2cc(-c3ccccc3C3=NCCN3)oc12.Cl.
What is the InChIKey of 2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is VONBLRPOXYNCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2.ClH/c1-22-16-10-12(19)8-11-9-15(23-17(11)16)13-4-2-3-5-14(13)18-20-6-7-21-18;/h2-5,8-10H,6-7H2,1H3,(H,20,21);1H.
What are the key properties of 2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 407.70 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 161355740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).