2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole

C11H9N3OS — CID 143620068

IUPAC2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole
SMILESCSc1cnc(-c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C11H9N3OS/c1-16-10-5-12-11(15-10)7-2-3-8-9(4-7)14-6-13-8/h2-6H,1H3,(H,13,14)
InChIKeyUMYIPTCAKADANO-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.94
Rot. Bonds2

About 2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole

2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole (PubChem CID 143620068) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole
PubChem CID143620068
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole
SMILESCSc1cnc(-c2ccc3nc[nH]c3c2)o1
InChIInChI=1S/C11H9N3OS/c1-16-10-5-12-11(15-10)7-2-3-8-9(4-7)14-6-13-8/h2-6H,1H3,(H,13,14)
InChIKeyUMYIPTCAKADANO-UHFFFAOYSA-N
XLogP2.94
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3H-benzimidazol-5-yl)-3-methyl-1,2,4-oxadiazole
CID 94069320
2-(3H-benzimidazol-5-yl)-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
CID 25024286
2-[[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 1467867
6-(1-ethyltriazol-4-yl)-1H-benzimidazole
CID 118693287
6-(2-methyltetrazol-5-yl)-1H-benzimidazole
CID 91211393
2-(4-methylphenyl)-5-(4-methylphenyl)sulfanyl-1,3-oxazole
CID 12995331
6-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 39830614
5-(3H-benzimidazol-5-yl)-3-(1-tert-butylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 175923429
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
[5-(3H-benzimidazol-5-yl)-1,3,4-oxadiazol-2-yl]-tetrafluoro-[fluoro(phenyl)methyl]-λ6-sulfane
CID 87280464
2-(3H-benzimidazol-5-yl)chromen-4-one
CID 10061237
6-[4-(5-methylthiophen-3-yl)phenyl]-1H-benzimidazole
CID 175227051

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole (CID 143620068) is 2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole is CSc1cnc(-c2ccc3nc[nH]c3c2)o1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole?
The InChIKey is UMYIPTCAKADANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-16-10-5-12-11(15-10)7-2-3-8-9(4-7)14-6-13-8/h2-6H,1H3,(H,13,14).
What are the key properties of 2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole?
2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole has a molecular weight of 231.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-5-methylsulfanyl-1,3-oxazole is sourced from PubChem (CID 143620068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).