2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol

C10H7N3OS — CID 116889823

IUPAC2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol
SMILESOc1csc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C10H7N3OS/c14-9-4-15-10(13-9)6-1-2-7-8(3-6)12-5-11-7/h1-5,14H,(H,11,12)
InChIKeyCZBSEUWZAFBNLN-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.39
Rot. Bonds1

About 2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol

2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol (PubChem CID 116889823) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol
PubChem CID116889823
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol
SMILESOc1csc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C10H7N3OS/c14-9-4-15-10(13-9)6-1-2-7-8(3-6)12-5-11-7/h1-5,14H,(H,11,12)
InChIKeyCZBSEUWZAFBNLN-UHFFFAOYSA-N
XLogP2.39
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3H-benzimidazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 82497800
2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine
CID 82385621
6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
CID 175227051
4-(3H-benzimidazol-5-yl)-2-(bromomethyl)-1,3-thiazole
CID 116970345
2-(3H-benzimidazol-5-yl)phenol
CID 162260962
2-(3H-benzimidazol-5-yl)-5-bromo-1,3-thiazol-4-amine
CID 116864352
2-(3H-benzimidazol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82500263
3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116965587
4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one
CID 116966111
2-(3H-benzimidazol-5-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886203
4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one
CID 141171310
2-(1H-benzimidazol-2-yl)-6-(3H-benzimidazol-5-yl)-1H-benzimidazole
CID 11508555

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol (CID 116889823) is 2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol is Oc1csc(-c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol?
The InChIKey is CZBSEUWZAFBNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c14-9-4-15-10(13-9)6-1-2-7-8(3-6)12-5-11-7/h1-5,14H,(H,11,12).
What are the key properties of 2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol?
2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol has a molecular weight of 217.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 116889823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).