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

C10H7N3OS — CID 116966111

IUPAC4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2ccc3nc[nH]c3c2)cs1
InChIInChI=1S/C10H7N3OS/c14-10-13-9(4-15-10)6-1-2-7-8(3-6)12-5-11-7/h1-5H,(H,11,12)(H,13,14)
InChIKeyRVFZRYJRLJLAAF-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.98
Rot. Bonds1

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

4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one (PubChem CID 116966111) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one
PubChem CID116966111
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(-c2ccc3nc[nH]c3c2)cs1
InChIInChI=1S/C10H7N3OS/c14-10-13-9(4-15-10)6-1-2-7-8(3-6)12-5-11-7/h1-5H,(H,11,12)(H,13,14)
InChIKeyRVFZRYJRLJLAAF-UHFFFAOYSA-N
XLogP1.98
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
CID 116966108
6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
CID 175227051
5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-amine
CID 82491411
4-(3H-benzimidazol-5-yl)-1H-pyridin-2-one
CID 141171310
4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
CID 116966109
2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-ol
CID 116889823
2-(3H-benzimidazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 82497800
4-(3H-benzimidazol-5-yl)-2-(bromomethyl)-1,3-thiazole
CID 116970345
[5-(3H-benzimidazol-5-yl)-2-methyl-1H-pyrrol-3-yl]methanol
CID 116828782
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
CID 59909636
CID 59909636
4-(3H-benzimidazol-5-yl)-6-methyl-1H-pyrimidine-2-thione
CID 116894712

Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one (CID 116966111) is 4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one is O=c1[nH]c(-c2ccc3nc[nH]c3c2)cs1.
What is the InChIKey of 4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one?
The InChIKey is RVFZRYJRLJLAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c14-10-13-9(4-15-10)6-1-2-7-8(3-6)12-5-11-7/h1-5H,(H,11,12)(H,13,14).
What are the key properties of 4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one?
4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one has a molecular weight of 217.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazol-5-yl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 116966111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).