1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride

C24H21ClN2O — CID 10045830

IUPAC1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride
SMILESCl.c1ccc(-c2ccc(C3(Cn4ccnc4)OCc4ccccc43)cc2)cc1
InChIInChI=1S/C24H20N2O.ClH/c1-2-6-19(7-3-1)20-10-12-22(13-11-20)24(17-26-15-14-25-18-26)23-9-5-4-8-21(23)16-27-24;/h1-15,18H,16-17H2;1H
InChIKeyARKHLXIBQHDWTB-UHFFFAOYSA-N
MW388.90 g/mol
LogP5.45
Rot. Bonds4

About 1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride

1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride (PubChem CID 10045830) has the molecular formula C24H21ClN2O and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride
PubChem CID10045830
Molecular FormulaC24H21ClN2O
Molecular Weight388.90 g/mol
Exact Mass388.13
IUPAC Name1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride
SMILESCl.c1ccc(-c2ccc(C3(Cn4ccnc4)OCc4ccccc43)cc2)cc1
InChIInChI=1S/C24H20N2O.ClH/c1-2-6-19(7-3-1)20-10-12-22(13-11-20)24(17-26-15-14-25-18-26)23-9-5-4-8-21(23)16-27-24;/h1-15,18H,16-17H2;1H
InChIKeyARKHLXIBQHDWTB-UHFFFAOYSA-N
XLogP5.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(4-chlorophenyl)-3H-2-benzofuran-1-yl]methyl]-1,2,4-triazole;hydrochloride
CID 10472909
1-(2-imidazol-1-ylethyl)-1-phenyl-3H-2-benzofuran-5-carbonitrile;hydrochloride
CID 42606631
4-[1-(imidazol-1-ylmethyl)-3H-2-benzofuran-1-yl]piperidine
CID 70378884
1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole
CID 13326948
1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide
CID 20547508
1-[2-(2-benzyl-1,3-dioxan-2-yl)ethyl]imidazole
CID 20547993
1-(4-chlorophenyl)-1-(3-imidazol-1-ylpropyl)-3H-2-benzofuran-5-carbonitrile
CID 42605490
1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 11962103
1-(2-imidazol-1-ylethyl)-1-(4-methoxyphenyl)-3H-2-benzofuran-5-carbonitrile
CID 42606509
1-[[2-[2-(4-chlorophenyl)ethyl]-4-[(4-phenylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 67157895
1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole
CID 54524191
1-[(3-phenylpyrrol-1-yl)methyl]imidazole
CID 141118913

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride?
The IUPAC name of 1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride (CID 10045830) is 1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride?
The canonical SMILES for 1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride is Cl.c1ccc(-c2ccc(C3(Cn4ccnc4)OCc4ccccc43)cc2)cc1.
What is the InChIKey of 1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride?
The InChIKey is ARKHLXIBQHDWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O.ClH/c1-2-6-19(7-3-1)20-10-12-22(13-11-20)24(17-26-15-14-25-18-26)23-9-5-4-8-21(23)16-27-24;/h1-15,18H,16-17H2;1H.
What are the key properties of 1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride?
1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole;hydrochloride is sourced from PubChem (CID 10045830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).