molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione

C10H16N2S — CID 153334557

IUPACmolecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione
SMILESCC(C)c1ccc2[nH]c(=S)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C10H12N2S.2H2/c1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;;/h3-6H,1-2H3,(H2,11,12,13);2*1H
InChIKeyLPKXLAJCYIHDTA-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.84
Rot. Bonds1

About molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione

molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione (PubChem CID 153334557) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Namemolecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione
PubChem CID153334557
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Namemolecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione
SMILESCC(C)c1ccc2[nH]c(=S)[nH]c2c1.[H][H].[H][H]
InChIInChI=1S/C10H12N2S.2H2/c1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;;/h3-6H,1-2H3,(H2,11,12,13);2*1H
InChIKeyLPKXLAJCYIHDTA-UHFFFAOYSA-N
XLogP3.84
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione (CID 153334557) is molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione is CC(C)c1ccc2[nH]c(=S)[nH]c2c1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is LPKXLAJCYIHDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S.2H2/c1-6(2)7-3-4-8-9(5-7)12-10(13)11-8;;/h3-6H,1-2H3,(H2,11,12,13);2*1H.
What are the key properties of molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione?
molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 196.32 g/mol, XLogP of 3.84, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 153334557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).