2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid

C20H12Cl2N2O3 — CID 10294329

IUPAC2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3Cl)[nH]c2c1
InChIInChI=1S/C20H12Cl2N2O3/c21-12-2-4-13(5-3-12)27-14-6-7-15(16(22)10-14)19-23-17-8-1-11(20(25)26)9-18(17)24-19/h1-10H,(H,23,24)(H,25,26)
InChIKeyZLTIPBBLNUNPEJ-UHFFFAOYSA-N
MW399.23 g/mol
LogP6.03
Rot. Bonds4

About 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid

2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid (PubChem CID 10294329) has the molecular formula C20H12Cl2N2O3 and a molecular weight of 399.23 g/mol. Its IUPAC name is 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
PubChem CID10294329
Molecular FormulaC20H12Cl2N2O3
Molecular Weight399.23 g/mol
Exact Mass398.02
IUPAC Name2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3Cl)[nH]c2c1
InChIInChI=1S/C20H12Cl2N2O3/c21-12-2-4-13(5-3-12)27-14-6-7-15(16(22)10-14)19-23-17-8-1-11(20(25)26)9-18(17)24-19/h1-10H,(H,23,24)(H,25,26)
InChIKeyZLTIPBBLNUNPEJ-UHFFFAOYSA-N
XLogP6.03
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.23
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic 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 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid (CID 10294329) is 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid is O=C(O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)cc4)cc3Cl)[nH]c2c1.
What is the InChIKey of 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid?
The InChIKey is ZLTIPBBLNUNPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2N2O3/c21-12-2-4-13(5-3-12)27-14-6-7-15(16(22)10-14)19-23-17-8-1-11(20(25)26)9-18(17)24-19/h1-10H,(H,23,24)(H,25,26).
What are the key properties of 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid?
2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid has a molecular weight of 399.23 g/mol, XLogP of 6.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 10294329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).