5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid

C15H13ClN2O4 — CID 11427207

IUPAC5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid
SMILESClc1ccc2c(c1)CC/C2=C/c1cnc[nH]1.O=C(O)C(=O)O
InChIInChI=1S/C13H11ClN2.C2H2O4/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12;3-1(4)2(5)6/h3-8H,1-2H2,(H,15,16);(H,3,4)(H,5,6)/b10-6-;
InChIKeyXTARLSOKHDWZBZ-OTUCAILMSA-N
MW320.73 g/mol
LogP2.71
Rot. Bonds1

About 5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid

5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid (PubChem CID 11427207) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid.

Molecular Properties

Compound Name5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid
PubChem CID11427207
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid
SMILESClc1ccc2c(c1)CC/C2=C/c1cnc[nH]1.O=C(O)C(=O)O
InChIInChI=1S/C13H11ClN2.C2H2O4/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12;3-1(4)2(5)6/h3-8H,1-2H2,(H,15,16);(H,3,4)(H,5,6)/b10-6-;
InChIKeyXTARLSOKHDWZBZ-OTUCAILMSA-N
XLogP2.71
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid?
The IUPAC name of 5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid (CID 11427207) is 5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid.
What is the SMILES notation for 5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid?
The canonical SMILES for 5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid is Clc1ccc2c(c1)CC/C2=C/c1cnc[nH]1.O=C(O)C(=O)O.
What is the InChIKey of 5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid?
The InChIKey is XTARLSOKHDWZBZ-OTUCAILMSA-N. The full InChI is InChI=1S/C13H11ClN2.C2H2O4/c14-11-3-4-13-9(5-11)1-2-10(13)6-12-7-15-8-16-12;3-1(4)2(5)6/h3-8H,1-2H2,(H,15,16);(H,3,4)(H,5,6)/b10-6-;.
What are the key properties of 5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid?
5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid has a molecular weight of 320.73 g/mol, XLogP of 2.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-chloro-2,3-dihydroinden-1-ylidene)methyl]-1H-imidazole;oxalic acid is sourced from PubChem (CID 11427207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).