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

C18H13N3O3S — CID 58957315

IUPAC2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESCc1cc2c(cc1O)ncn2-c1nc(-c2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C18H13N3O3S/c1-10-7-13-12(8-14(10)22)19-9-21(13)18-20-15(16(25-18)17(23)24)11-5-3-2-4-6-11/h2-9,22H,1H3,(H,23,24)
InChIKeyITSMGJYSXWXQNL-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.86
Rot. Bonds3

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

2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid (PubChem CID 58957315) has the molecular formula C18H13N3O3S and a molecular weight of 351.39 g/mol. Its IUPAC name is 2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
PubChem CID58957315
Molecular FormulaC18H13N3O3S
Molecular Weight351.39 g/mol
Exact Mass351.07
IUPAC Name2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
SMILESCc1cc2c(cc1O)ncn2-c1nc(-c2ccccc2)c(C(=O)O)s1
InChIInChI=1S/C18H13N3O3S/c1-10-7-13-12(8-14(10)22)19-9-21(13)18-20-15(16(25-18)17(23)24)11-5-3-2-4-6-11/h2-9,22H,1H3,(H,23,24)
InChIKeyITSMGJYSXWXQNL-UHFFFAOYSA-N
XLogP3.86
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid (CID 58957315) is 2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid is Cc1cc2c(cc1O)ncn2-c1nc(-c2ccccc2)c(C(=O)O)s1.
What is the InChIKey of 2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is ITSMGJYSXWXQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3S/c1-10-7-13-12(8-14(10)22)19-9-21(13)18-20-15(16(25-18)17(23)24)11-5-3-2-4-6-11/h2-9,22H,1H3,(H,23,24).
What are the key properties of 2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid?
2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 351.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-6-methylbenzimidazol-1-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 58957315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).