6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane

C17H16Cl2N2O3 — CID 142453994

IUPAC6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1nc2cc(OCc3ccc(Cl)cc3)c(Cl)cc2[nH]1
InChIInChI=1S/C15H10Cl2N2O3.C2H6/c16-9-3-1-8(2-4-9)7-22-13-6-12-11(5-10(13)17)18-14(19-12)15(20)21;1-2/h1-6H,7H2,(H,18,19)(H,20,21);1-2H3
InChIKeyVXDDEMKUSBFCRG-UHFFFAOYSA-N
MW367.23 g/mol
LogP5.17
Rot. Bonds4

About 6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane

6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane (PubChem CID 142453994) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane.

Molecular Properties

Compound Name6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane
PubChem CID142453994
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane
SMILESCC.O=C(O)c1nc2cc(OCc3ccc(Cl)cc3)c(Cl)cc2[nH]1
InChIInChI=1S/C15H10Cl2N2O3.C2H6/c16-9-3-1-8(2-4-9)7-22-13-6-12-11(5-10(13)17)18-14(19-12)15(20)21;1-2/h1-6H,7H2,(H,18,19)(H,20,21);1-2H3
InChIKeyVXDDEMKUSBFCRG-UHFFFAOYSA-N
XLogP5.17
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.23
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane 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 6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane?
The IUPAC name of 6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane (CID 142453994) is 6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane.
What is the SMILES notation for 6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane?
The canonical SMILES for 6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane is CC.O=C(O)c1nc2cc(OCc3ccc(Cl)cc3)c(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane?
The InChIKey is VXDDEMKUSBFCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3.C2H6/c16-9-3-1-8(2-4-9)7-22-13-6-12-11(5-10(13)17)18-14(19-12)15(20)21;1-2/h1-6H,7H2,(H,18,19)(H,20,21);1-2H3.
What are the key properties of 6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane?
6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane has a molecular weight of 367.23 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazole-2-carboxylic acid;ethane is sourced from PubChem (CID 142453994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).