5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole

C10H12N2OS2 — CID 22975284

IUPAC5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole
SMILESCC(C)c1cc2[nH]cnc2cc1SSO
InChIInChI=1S/C10H12N2OS2/c1-6(2)7-3-8-9(12-5-11-8)4-10(7)14-15-13/h3-6,13H,1-2H3,(H,11,12)
InChIKeyHVRDRQUAVLIXQJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.90
Rot. Bonds3

About 5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole

5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole (PubChem CID 22975284) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole
PubChem CID22975284
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Name5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole
SMILESCC(C)c1cc2[nH]cnc2cc1SSO
InChIInChI=1S/C10H12N2OS2/c1-6(2)7-3-8-9(12-5-11-8)4-10(7)14-15-13/h3-6,13H,1-2H3,(H,11,12)
InChIKeyHVRDRQUAVLIXQJ-UHFFFAOYSA-N
XLogP3.90
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-tert-butyl-5-(tritiooxydisulfanyl)-1H-benzimidazole
CID 59043005
6-(difluoromethyl)-1H-benzimidazol-5-ol
CID 130882278
6-(difluoromethyl)-5-fluoro-1H-benzimidazole
CID 131115762
6-methylsulfanyl-3H-benzimidazole-5-carbonyl chloride
CID 130999826
6-(difluoromethyl)-1H-benzimidazole-5-carbonitrile
CID 130882495
2-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-ylsulfanyl)propanoic acid
CID 21226753
ethane;molecular hydrogen;6-propan-2-yl-3H-imidazo[4,5-c]pyridine
CID 171660115
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
CID 157410638
CID 157410638
6-(3-methylbutyl)-1H-benzimidazole
CID 58439474
6-amino-1H-benzimidazol-5-ol
CID 82417589
dichlorocobalt;5,6-dimethyl-1H-benzimidazole
CID 160743533

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole?
The IUPAC name of 5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole (CID 22975284) is 5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole.
What is the SMILES notation for 5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole?
The canonical SMILES for 5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole is CC(C)c1cc2[nH]cnc2cc1SSO.
What is the InChIKey of 5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole?
The InChIKey is HVRDRQUAVLIXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-6(2)7-3-8-9(12-5-11-8)4-10(7)14-15-13/h3-6,13H,1-2H3,(H,11,12).
What are the key properties of 5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole?
5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole has a molecular weight of 240.35 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxydisulfanyl)-6-propan-2-yl-1H-benzimidazole is sourced from PubChem (CID 22975284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).