benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole)

C46H46N8O8 — CID 175004780

IUPACbenzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole)
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.c1ccc(C2=NCCN2)cc1.c1ccc(C2=NCCN2)cc1.c1ccc(C2=NCCN2)cc1.c1ccc(C2=NCCN2)cc1
InChIInChI=1S/C10H6O8.4C9H10N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;4*1-2-4-8(5-3-1)9-10-6-7-11-9/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1-5H,6-7H2,(H,10,11)
InChIKeyURLAAGRBPJSLFR-UHFFFAOYSA-N
MW838.92 g/mol
LogP4.62
Rot. Bonds8

About benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole)

benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole) (PubChem CID 175004780) has the molecular formula C46H46N8O8 and a molecular weight of 838.92 g/mol. Its IUPAC name is benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole).

Molecular Properties

Compound Namebenzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole)
PubChem CID175004780
Molecular FormulaC46H46N8O8
Molecular Weight838.92 g/mol
Exact Mass838.34
IUPAC Namebenzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole)
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.c1ccc(C2=NCCN2)cc1.c1ccc(C2=NCCN2)cc1.c1ccc(C2=NCCN2)cc1.c1ccc(C2=NCCN2)cc1
InChIInChI=1S/C10H6O8.4C9H10N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;4*1-2-4-8(5-3-1)9-10-6-7-11-9/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1-5H,6-7H2,(H,10,11)
InChIKeyURLAAGRBPJSLFR-UHFFFAOYSA-N
XLogP4.62
TPSA246.76 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500838.92
LogP ≤ 54.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid
CID 22227306
1-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-phenylurea
CID 66919843
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole
CID 71747659
1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide
CID 3036997
2-phenyl-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 576157
2-naphthalen-2-yl-4,5-dihydro-1H-imidazole;oxalate
CID 162678930
1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride
CID 131876826
3-(4,5-dihydro-1H-imidazol-2-yl)benzenethiol
CID 45120784
2-(4,5-dihydro-1H-imidazol-2-yl)-6-methylpyridine-3-carboxylic acid
CID 67731235
N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]but-2-enediamide;dihydrochloride
CID 131880365
2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 131880616
2-(4,5-dihydro-1H-imidazol-2-yl)naphthalene-1-carboxylic acid
CID 70504113

Frequently Asked Questions

What is the IUPAC name of benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole)?
The IUPAC name of benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole) (CID 175004780) is benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole).
What is the SMILES notation for benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole)?
The canonical SMILES for benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole) is O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.c1ccc(C2=NCCN2)cc1.c1ccc(C2=NCCN2)cc1.c1ccc(C2=NCCN2)cc1.c1ccc(C2=NCCN2)cc1.
What is the InChIKey of benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole)?
The InChIKey is URLAAGRBPJSLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O8.4C9H10N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;4*1-2-4-8(5-3-1)9-10-6-7-11-9/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);4*1-5H,6-7H2,(H,10,11).
What are the key properties of benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole)?
benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole) has a molecular weight of 838.92 g/mol, XLogP of 4.62, 8 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,4,5-tetracarboxylic acid;tetrakis(2-phenyl-4,5-dihydro-1H-imidazole) is sourced from PubChem (CID 175004780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).