2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid

C17H10ClN3O2S — CID 23653735

IUPAC2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-n2cnc3ccc(Cl)cc32)nc1-c1ccccc1
InChIInChI=1S/C17H10ClN3O2S/c18-11-6-7-12-13(8-11)21(9-19-12)17-20-14(15(24-17)16(22)23)10-4-2-1-3-5-10/h1-9H,(H,22,23)
InChIKeyYLWMPUZSBRYFED-UHFFFAOYSA-N
MW355.81 g/mol
LogP4.50
Rot. Bonds3

About 2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid

2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 23653735) has the molecular formula C17H10ClN3O2S and a molecular weight of 355.81 g/mol. Its IUPAC name is 2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID23653735
Molecular FormulaC17H10ClN3O2S
Molecular Weight355.81 g/mol
Exact Mass355.02
IUPAC Name2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(-n2cnc3ccc(Cl)cc32)nc1-c1ccccc1
InChIInChI=1S/C17H10ClN3O2S/c18-11-6-7-12-13(8-11)21(9-19-12)17-20-14(15(24-17)16(22)23)10-4-2-1-3-5-10/h1-9H,(H,22,23)
InChIKeyYLWMPUZSBRYFED-UHFFFAOYSA-N
XLogP4.50
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid (CID 23653735) is 2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(-n2cnc3ccc(Cl)cc32)nc1-c1ccccc1.
What is the InChIKey of 2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is YLWMPUZSBRYFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O2S/c18-11-6-7-12-13(8-11)21(9-19-12)17-20-14(15(24-17)16(22)23)10-4-2-1-3-5-10/h1-9H,(H,22,23).
What are the key properties of 2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 355.81 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorobenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 23653735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).