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

C18H17ClN2O — CID 57447528

IUPAC2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCc1ccc(-c2cccc3coc(C4=NCCN4)c23)cc1.Cl
InChIInChI=1S/C18H16N2O.ClH/c1-12-5-7-13(8-6-12)15-4-2-3-14-11-21-17(16(14)15)18-19-9-10-20-18;/h2-8,11H,9-10H2,1H3,(H,19,20);1H
InChIKeyYOEHMFSIPOCWBW-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.18
Rot. Bonds2

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

2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 57447528) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID57447528
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCc1ccc(-c2cccc3coc(C4=NCCN4)c23)cc1.Cl
InChIInChI=1S/C18H16N2O.ClH/c1-12-5-7-13(8-6-12)15-4-2-3-14-11-21-17(16(14)15)18-19-9-10-20-18;/h2-8,11H,9-10H2,1H3,(H,19,20);1H
InChIKeyYOEHMFSIPOCWBW-UHFFFAOYSA-N
XLogP4.18
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(3-nitrophenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole
CID 57447537
2-(4-naphthalen-1-ylphenyl)-4,5-dihydro-1H-imidazole
CID 10221130
2-[5-(5-chlorothiophen-2-yl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole
CID 57447507
2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole
CID 57447517
2-(4-thiophen-2-yl-2-benzofuran-1-yl)-4,5-dihydro-1H-imidazole
CID 57447555
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 151566527
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole
CID 11769428
2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 162469328
2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline
CID 91528278
2-(2-fluoro-5-methylphenyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 171378845
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-methylphenyl)-2,5-dihydro-1,2-oxazole
CID 57299097
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole
CID 71747659

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 57447528) is 2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride is Cc1ccc(-c2cccc3coc(C4=NCCN4)c23)cc1.Cl.
What is the InChIKey of 2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is YOEHMFSIPOCWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O.ClH/c1-12-5-7-13(8-6-12)15-4-2-3-14-11-21-17(16(14)15)18-19-9-10-20-18;/h2-8,11H,9-10H2,1H3,(H,19,20);1H.
What are the key properties of 2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-methylphenyl)-2-benzofuran-1-yl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 57447528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).