2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid

C19H15N3O5S — CID 23654018

IUPAC2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1cc2ncn(-c3nc(-c4ccccc4O)c(C(=O)O)s3)c2cc1OC
InChIInChI=1S/C19H15N3O5S/c1-26-14-7-11-12(8-15(14)27-2)22(9-20-11)19-21-16(17(28-19)18(24)25)10-5-3-4-6-13(10)23/h3-9,23H,1-2H3,(H,24,25)
InChIKeyUHGNRWHLJFLJGB-UHFFFAOYSA-N
MW397.41 g/mol
LogP3.57
Rot. Bonds5

About 2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid

2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 23654018) has the molecular formula C19H15N3O5S and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID23654018
Molecular FormulaC19H15N3O5S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC Name2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1cc2ncn(-c3nc(-c4ccccc4O)c(C(=O)O)s3)c2cc1OC
InChIInChI=1S/C19H15N3O5S/c1-26-14-7-11-12(8-15(14)27-2)22(9-20-11)19-21-16(17(28-19)18(24)25)10-5-3-4-6-13(10)23/h3-9,23H,1-2H3,(H,24,25)
InChIKeyUHGNRWHLJFLJGB-UHFFFAOYSA-N
XLogP3.57
TPSA106.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid (CID 23654018) is 2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid is COc1cc2ncn(-c3nc(-c4ccccc4O)c(C(=O)O)s3)c2cc1OC.
What is the InChIKey of 2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is UHGNRWHLJFLJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5S/c1-26-14-7-11-12(8-15(14)27-2)22(9-20-11)19-21-16(17(28-19)18(24)25)10-5-3-4-6-13(10)23/h3-9,23H,1-2H3,(H,24,25).
What are the key properties of 2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid?
2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 397.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxybenzimidazol-1-yl)-4-(2-hydroxyphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 23654018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).