5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione

C10H12N2OS — CID 18966959

IUPAC5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione
SMILESCC(C)Oc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C10H12N2OS/c1-6(2)13-7-3-4-8-9(5-7)12-10(14)11-8/h3-6H,1-2H3,(H2,11,12,14)
InChIKeyKDIKVVGTZRPPGN-UHFFFAOYSA-N
MW208.29 g/mol
LogP3.01
Rot. Bonds2

About 5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione

5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione (PubChem CID 18966959) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione
PubChem CID18966959
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione
SMILESCC(C)Oc1ccc2[nH]c(=S)[nH]c2c1
InChIInChI=1S/C10H12N2OS/c1-6(2)13-7-3-4-8-9(5-7)12-10(14)11-8/h3-6H,1-2H3,(H2,11,12,14)
InChIKeyKDIKVVGTZRPPGN-UHFFFAOYSA-N
XLogP3.01
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione
CID 146342056
5-propoxy-1,3-dihydrobenzimidazole-2-thione
CID 14902017
molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione
CID 153334557
5-propan-2-yloxy-1H-indole
CID 16738054
5-piperidin-4-yloxy-1,3-dihydrobenzimidazole-2-thione
CID 117209751
sodium;hydride;(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl) sulfite
CID 174144794
5-[(4-methylphenoxy)methylamino]-1,3-dihydrobenzimidazole-2-thione
CID 21306131
1-(6-propan-2-yloxy-1H-benzimidazol-2-yl)ethanamine
CID 82331925
5-[(4-ethoxyphenyl)methyl]-1,3-dihydrobenzimidazole-2-thione
CID 19812007
CID 157177640
CID 157177640
2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbaldehyde
CID 143687937
4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile
CID 82242632

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione (CID 18966959) is 5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione is CC(C)Oc1ccc2[nH]c(=S)[nH]c2c1.
What is the InChIKey of 5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is KDIKVVGTZRPPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-6(2)13-7-3-4-8-9(5-7)12-10(14)11-8/h3-6H,1-2H3,(H2,11,12,14).
What are the key properties of 5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione?
5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 208.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 18966959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).