benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole

C18H16N2O6 — CID 6453026

IUPACbenzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole
SMILESO=C(O)c1ccc(C(=O)O)c(C(=O)O)c1.c1ccc(C2=NCCN2)cc1
InChIInChI=1S/C9H10N2.C9H6O6/c1-2-4-8(5-3-1)9-10-6-7-11-9;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-5H,6-7H2,(H,10,11);1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyXSUIFBBMMDAUOR-UHFFFAOYSA-N
MW356.33 g/mol
LogP1.82
Rot. Bonds4

About benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole

benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole (PubChem CID 6453026) has the molecular formula C18H16N2O6 and a molecular weight of 356.33 g/mol. Its IUPAC name is benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Namebenzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole
PubChem CID6453026
Molecular FormulaC18H16N2O6
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Namebenzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole
SMILESO=C(O)c1ccc(C(=O)O)c(C(=O)O)c1.c1ccc(C2=NCCN2)cc1
InChIInChI=1S/C9H10N2.C9H6O6/c1-2-4-8(5-3-1)9-10-6-7-11-9;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-5H,6-7H2,(H,10,11);1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKeyXSUIFBBMMDAUOR-UHFFFAOYSA-N
XLogP1.82
TPSA136.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole (CID 6453026) is benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole is O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1.c1ccc(C2=NCCN2)cc1.
What is the InChIKey of benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole?
The InChIKey is XSUIFBBMMDAUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C9H6O6/c1-2-4-8(5-3-1)9-10-6-7-11-9;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-5H,6-7H2,(H,10,11);1-3H,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole?
benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole has a molecular weight of 356.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,4-tricarboxylic acid;2-phenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 6453026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).