5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride

C20H20Cl2N4O3 — CID 25140934

IUPAC5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride
SMILESCl.Cl.Oc1cc(C2=NCCN2)ccc1-c1cc2cc(C3=NCCN3)cc(O)c2o1
InChIInChI=1S/C20H18N4O3.2ClH/c25-15-8-11(19-21-3-4-22-19)1-2-14(15)17-10-12-7-13(20-23-5-6-24-20)9-16(26)18(12)27-17;;/h1-2,7-10,25-26H,3-6H2,(H,21,22)(H,23,24);2*1H
InChIKeyBICKGTOXZNGCJS-UHFFFAOYSA-N
MW435.31 g/mol
LogP3.05
Rot. Bonds3

About 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride

5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride (PubChem CID 25140934) has the molecular formula C20H20Cl2N4O3 and a molecular weight of 435.31 g/mol. Its IUPAC name is 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride.

Molecular Properties

Compound Name5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride
PubChem CID25140934
Molecular FormulaC20H20Cl2N4O3
Molecular Weight435.31 g/mol
Exact Mass434.09
IUPAC Name5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride
SMILESCl.Cl.Oc1cc(C2=NCCN2)ccc1-c1cc2cc(C3=NCCN3)cc(O)c2o1
InChIInChI=1S/C20H18N4O3.2ClH/c25-15-8-11(19-21-3-4-22-19)1-2-14(15)17-10-12-7-13(20-23-5-6-24-20)9-16(26)18(12)27-17;;/h1-2,7-10,25-26H,3-6H2,(H,21,22)(H,23,24);2*1H
InChIKeyBICKGTOXZNGCJS-UHFFFAOYSA-N
XLogP3.05
TPSA102.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride with MolForge

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Related Compounds

2-bromo-4-(4,5-dihydro-1H-imidazol-2-yl)phenol
CID 136822392
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole
CID 11769428
2-[2-(5-bromo-7-methoxy-1-benzofuran-2-yl)phenyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 161355740
4-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diol
CID 4583261
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-5-yl]-1H-indole;hydrochloride
CID 54600615
5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)phenol
CID 137272912
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate
CID 162678930
2-[2-[[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-4,5-dihydro-1H-imidazole
CID 11292047
2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 54602799
4-(4,5-dihydro-1H-imidazol-2-yl)-2-ethoxyphenol
CID 136822415
2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 11306162
4-(4,5-dihydro-1H-imidazol-2-yl)aniline;dihydrochloride
CID 131857120

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride?
The IUPAC name of 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride (CID 25140934) is 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride.
What is the SMILES notation for 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride?
The canonical SMILES for 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride is Cl.Cl.Oc1cc(C2=NCCN2)ccc1-c1cc2cc(C3=NCCN3)cc(O)c2o1.
What is the InChIKey of 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride?
The InChIKey is BICKGTOXZNGCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3.2ClH/c25-15-8-11(19-21-3-4-22-19)1-2-14(15)17-10-12-7-13(20-23-5-6-24-20)9-16(26)18(12)27-17;;/h1-2,7-10,25-26H,3-6H2,(H,21,22)(H,23,24);2*1H.
What are the key properties of 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride?
5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride has a molecular weight of 435.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxyphenyl]-1-benzofuran-7-ol;dihydrochloride is sourced from PubChem (CID 25140934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).