2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol

C10H8N2OS — CID 84617405

IUPAC2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol
SMILESC#CCSc1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C10H8N2OS/c1-2-5-14-10-11-8-4-3-7(13)6-9(8)12-10/h1,3-4,6,13H,5H2,(H,11,12)
InChIKeyVXSCEBKLZLQCNZ-UHFFFAOYSA-N
MW204.25 g/mol
LogP1.99
Rot. Bonds2

About 2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol

2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol (PubChem CID 84617405) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol
PubChem CID84617405
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol
SMILESC#CCSc1nc2ccc(O)cc2[nH]1
InChIInChI=1S/C10H8N2OS/c1-2-5-14-10-11-8-4-3-7(13)6-9(8)12-10/h1,3-4,6,13H,5H2,(H,11,12)
InChIKeyVXSCEBKLZLQCNZ-UHFFFAOYSA-N
XLogP1.99
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-difluoro-2-prop-2-ynylsulfanyl-1H-benzimidazole
CID 84616894
2-(2-fluoropropylsulfanyl)-3H-benzimidazol-5-ol
CID 84617418
2-[2-(dimethylamino)ethylsulfanyl]-3H-benzimidazol-5-ol
CID 84617398
2-[3-(dimethylamino)propylsulfanyl]-3H-benzimidazol-5-ol
CID 84617400
2-[(3-fluorophenyl)methylsulfanyl]-3H-benzimidazol-5-ol
CID 84617402
N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 84617366
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3H-benzimidazol-5-ol
CID 84617391
2-(oxan-4-ylsulfanyl)-3H-benzimidazol-5-ol
CID 84617416
2-but-3-ynylsulfanyl-6-methoxy-1H-benzimidazole
CID 63655056
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]-3H-benzimidazol-5-ol
CID 57346352
1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-2-one
CID 15133696
N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]prop-2-yn-1-amine
CID 62583192

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol?
The IUPAC name of 2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol (CID 84617405) is 2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol?
The canonical SMILES for 2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol is C#CCSc1nc2ccc(O)cc2[nH]1.
What is the InChIKey of 2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol?
The InChIKey is VXSCEBKLZLQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c1-2-5-14-10-11-8-4-3-7(13)6-9(8)12-10/h1,3-4,6,13H,5H2,(H,11,12).
What are the key properties of 2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol?
2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol has a molecular weight of 204.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynylsulfanyl-3H-benzimidazol-5-ol is sourced from PubChem (CID 84617405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).