4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole

C23H15Cl2N3OS — CID 44530467

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole
SMILESClc1ccc(OCc2ccccc2)c(-c2nc(-c3nc4ccc(Cl)cc4[nH]3)cs2)c1
InChIInChI=1S/C23H15Cl2N3OS/c24-15-7-9-21(29-12-14-4-2-1-3-5-14)17(10-15)23-28-20(13-30-23)22-26-18-8-6-16(25)11-19(18)27-22/h1-11,13H,12H2,(H,26,27)
InChIKeyMJMZUZUCJLPQNN-UHFFFAOYSA-N
MW452.37 g/mol
LogP7.24
Rot. Bonds5

About 4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole

4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole (PubChem CID 44530467) has the molecular formula C23H15Cl2N3OS and a molecular weight of 452.37 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole
PubChem CID44530467
Molecular FormulaC23H15Cl2N3OS
Molecular Weight452.37 g/mol
Exact Mass451.03
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole
SMILESClc1ccc(OCc2ccccc2)c(-c2nc(-c3nc4ccc(Cl)cc4[nH]3)cs2)c1
InChIInChI=1S/C23H15Cl2N3OS/c24-15-7-9-21(29-12-14-4-2-1-3-5-14)17(10-15)23-28-20(13-30-23)22-26-18-8-6-16(25)11-19(18)27-22/h1-11,13H,12H2,(H,26,27)
InChIKeyMJMZUZUCJLPQNN-UHFFFAOYSA-N
XLogP7.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.37
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole 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 4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole (CID 44530467) is 4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole is Clc1ccc(OCc2ccccc2)c(-c2nc(-c3nc4ccc(Cl)cc4[nH]3)cs2)c1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole?
The InChIKey is MJMZUZUCJLPQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N3OS/c24-15-7-9-21(29-12-14-4-2-1-3-5-14)17(10-15)23-28-20(13-30-23)22-26-18-8-6-16(25)11-19(18)27-22/h1-11,13H,12H2,(H,26,27).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole?
4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole has a molecular weight of 452.37 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-2-(5-chloro-2-phenylmethoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 44530467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).