3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid

C24H20Cl2N2O3 — CID 22721050

IUPAC3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid
SMILESCOCc1cc(C(=O)O)cc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)c1
InChIInChI=1S/C24H20Cl2N2O3/c1-31-13-14-10-17(12-18(11-14)24(29)30)23-27-21(15-2-6-19(25)7-3-15)22(28-23)16-4-8-20(26)9-5-16/h2-12,21-22H,13H2,1H3,(H,27,28)(H,29,30)
InChIKeyQGXDWAXSPKAZNC-UHFFFAOYSA-N
MW455.34 g/mol
LogP5.67
Rot. Bonds6

About 3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid

3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid (PubChem CID 22721050) has the molecular formula C24H20Cl2N2O3 and a molecular weight of 455.34 g/mol. Its IUPAC name is 3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid.

Molecular Properties

Compound Name3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid
PubChem CID22721050
Molecular FormulaC24H20Cl2N2O3
Molecular Weight455.34 g/mol
Exact Mass454.09
IUPAC Name3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid
SMILESCOCc1cc(C(=O)O)cc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)c1
InChIInChI=1S/C24H20Cl2N2O3/c1-31-13-14-10-17(12-18(11-14)24(29)30)23-27-21(15-2-6-19(25)7-3-15)22(28-23)16-4-8-20(26)9-5-16/h2-12,21-22H,13H2,1H3,(H,27,28)(H,29,30)
InChIKeyQGXDWAXSPKAZNC-UHFFFAOYSA-N
XLogP5.67
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.34
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic 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 3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid?
The IUPAC name of 3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid (CID 22721050) is 3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid.
What is the SMILES notation for 3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid?
The canonical SMILES for 3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid is COCc1cc(C(=O)O)cc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)c1.
What is the InChIKey of 3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid?
The InChIKey is QGXDWAXSPKAZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O3/c1-31-13-14-10-17(12-18(11-14)24(29)30)23-27-21(15-2-6-19(25)7-3-15)22(28-23)16-4-8-20(26)9-5-16/h2-12,21-22H,13H2,1H3,(H,27,28)(H,29,30).
What are the key properties of 3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid?
3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid has a molecular weight of 455.34 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(4-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]-5-(methoxymethyl)benzoic acid is sourced from PubChem (CID 22721050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).