2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid

C17H10Cl2F3N3O3 — CID 54034082

IUPAC2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21
InChIInChI=1S/C17H10Cl2F3N3O3/c18-8-3-1-4-9(19)13(8)15(28)23-10-5-2-6-11-14(10)24-16(17(20,21)22)25(11)7-12(26)27/h1-6H,7H2,(H,23,28)(H,26,27)
InChIKeyLHRJJVYXZJPQSK-UHFFFAOYSA-N
MW432.19 g/mol
LogP4.70
Rot. Bonds4

About 2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid

2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid (PubChem CID 54034082) has the molecular formula C17H10Cl2F3N3O3 and a molecular weight of 432.19 g/mol. Its IUPAC name is 2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
PubChem CID54034082
Molecular FormulaC17H10Cl2F3N3O3
Molecular Weight432.19 g/mol
Exact Mass431.01
IUPAC Name2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
SMILESO=C(O)Cn1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21
InChIInChI=1S/C17H10Cl2F3N3O3/c18-8-3-1-4-9(19)13(8)15(28)23-10-5-2-6-11-14(10)24-16(17(20,21)22)25(11)7-12(26)27/h1-6H,7H2,(H,23,28)(H,26,27)
InChIKeyLHRJJVYXZJPQSK-UHFFFAOYSA-N
XLogP4.70
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.19
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid (CID 54034082) is 2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid is O=C(O)Cn1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc21.
What is the InChIKey of 2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid?
The InChIKey is LHRJJVYXZJPQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F3N3O3/c18-8-3-1-4-9(19)13(8)15(28)23-10-5-2-6-11-14(10)24-16(17(20,21)22)25(11)7-12(26)27/h1-6H,7H2,(H,23,28)(H,26,27).
What are the key properties of 2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid?
2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid has a molecular weight of 432.19 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,6-dichlorobenzoyl)amino]-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 54034082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).