2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole

C23H15Cl2FN4O — CID 53358102

IUPAC2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole
SMILESCOc1cc2nc(-c3c(F)cccc3Cl)[nH]c2cc1-c1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C23H15Cl2FN4O/c1-31-20-10-18-17(28-23(29-18)21-15(25)3-2-4-16(21)26)9-14(20)22-27-11-19(30-22)12-5-7-13(24)8-6-12/h2-11H,1H3,(H,27,30)(H,28,29)
InChIKeyDTIUJFBAOAAPJO-UHFFFAOYSA-N
MW453.30 g/mol
LogP6.74
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole

2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole (PubChem CID 53358102) has the molecular formula C23H15Cl2FN4O and a molecular weight of 453.30 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole
PubChem CID53358102
Molecular FormulaC23H15Cl2FN4O
Molecular Weight453.30 g/mol
Exact Mass452.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole
SMILESCOc1cc2nc(-c3c(F)cccc3Cl)[nH]c2cc1-c1ncc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C23H15Cl2FN4O/c1-31-20-10-18-17(28-23(29-18)21-15(25)3-2-4-16(21)26)9-14(20)22-27-11-19(30-22)12-5-7-13(24)8-6-12/h2-11H,1H3,(H,27,30)(H,28,29)
InChIKeyDTIUJFBAOAAPJO-UHFFFAOYSA-N
XLogP6.74
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.30
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole 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-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole (CID 53358102) is 2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole is COc1cc2nc(-c3c(F)cccc3Cl)[nH]c2cc1-c1ncc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole?
The InChIKey is DTIUJFBAOAAPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2FN4O/c1-31-20-10-18-17(28-23(29-18)21-15(25)3-2-4-16(21)26)9-14(20)22-27-11-19(30-22)12-5-7-13(24)8-6-12/h2-11H,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole?
2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole has a molecular weight of 453.30 g/mol, XLogP of 6.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-6-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-5-methoxy-1H-benzimidazole is sourced from PubChem (CID 53358102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).