5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid

C24H19ClF3N3O3 — CID 59267547

IUPAC5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
SMILESCc1ccc(Oc2nc3cc(-c4ccc(N(C)C)c(C(F)(F)F)c4)c(Cl)cc3[nH]2)cc1C(=O)O
InChIInChI=1S/C24H19ClF3N3O3/c1-12-4-6-14(9-15(12)22(32)33)34-23-29-19-10-16(18(25)11-20(19)30-23)13-5-7-21(31(2)3)17(8-13)24(26,27)28/h4-11H,1-3H3,(H,29,30)(H,32,33)
InChIKeyZBOFTBOTYJSKRS-UHFFFAOYSA-N
MW489.88 g/mol
LogP6.77
Rot. Bonds5

About 5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid

5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid (PubChem CID 59267547) has the molecular formula C24H19ClF3N3O3 and a molecular weight of 489.88 g/mol. Its IUPAC name is 5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
PubChem CID59267547
Molecular FormulaC24H19ClF3N3O3
Molecular Weight489.88 g/mol
Exact Mass489.11
IUPAC Name5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid
SMILESCc1ccc(Oc2nc3cc(-c4ccc(N(C)C)c(C(F)(F)F)c4)c(Cl)cc3[nH]2)cc1C(=O)O
InChIInChI=1S/C24H19ClF3N3O3/c1-12-4-6-14(9-15(12)22(32)33)34-23-29-19-10-16(18(25)11-20(19)30-23)13-5-7-21(31(2)3)17(8-13)24(26,27)28/h4-11H,1-3H3,(H,29,30)(H,32,33)
InChIKeyZBOFTBOTYJSKRS-UHFFFAOYSA-N
XLogP6.77
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.88
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic 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-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid?
The IUPAC name of 5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid (CID 59267547) is 5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid?
The canonical SMILES for 5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid is Cc1ccc(Oc2nc3cc(-c4ccc(N(C)C)c(C(F)(F)F)c4)c(Cl)cc3[nH]2)cc1C(=O)O.
What is the InChIKey of 5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid?
The InChIKey is ZBOFTBOTYJSKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N3O3/c1-12-4-6-14(9-15(12)22(32)33)34-23-29-19-10-16(18(25)11-20(19)30-23)13-5-7-21(31(2)3)17(8-13)24(26,27)28/h4-11H,1-3H3,(H,29,30)(H,32,33).
What are the key properties of 5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid?
5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid has a molecular weight of 489.88 g/mol, XLogP of 6.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-5-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]oxy]-2-methylbenzoic acid is sourced from PubChem (CID 59267547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).