1-prop-2-enylsulfanylbenzimidazole

C10H10N2S — CID 67218633

IUPAC1-prop-2-enylsulfanylbenzimidazole
SMILESC=CCSn1cnc2ccccc21
InChIInChI=1S/C10H10N2S/c1-2-7-13-12-8-11-9-5-3-4-6-10(9)12/h2-6,8H,1,7H2
InChIKeyLRRZUURWJWREMY-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.72
Rot. Bonds3

About 1-prop-2-enylsulfanylbenzimidazole

1-prop-2-enylsulfanylbenzimidazole (PubChem CID 67218633) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 1-prop-2-enylsulfanylbenzimidazole.

Molecular Properties

Compound Name1-prop-2-enylsulfanylbenzimidazole
PubChem CID67218633
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name1-prop-2-enylsulfanylbenzimidazole
SMILESC=CCSn1cnc2ccccc21
InChIInChI=1S/C10H10N2S/c1-2-7-13-12-8-11-9-5-3-4-6-10(9)12/h2-6,8H,1,7H2
InChIKeyLRRZUURWJWREMY-UHFFFAOYSA-N
XLogP2.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(prop-2-enyldisulfanyl)benzimidazole
CID 87577952
1-benzylsulfanylbenzimidazole
CID 22394082
4-(benzimidazol-1-ylsulfanyl)butan-1-ol
CID 57260170
1-prop-2-enoxybenzimidazole
CID 45078219
1-phenylsulfanylbenzimidazole
CID 13096820
N-[2-(benzimidazol-1-ylsulfanyl)ethyl]acetamide
CID 121222107
1-(4-methylphenyl)sulfanylbenzimidazole
CID 174957197
1-(benzimidazol-1-yl)pent-4-en-2-amine
CID 105107781
1-methylbenzimidazole;propane
CID 91130597
2,3-bis(prop-2-enylsulfanyl)quinoxaline
CID 51350473
(2R,3S)-2-(benzimidazol-1-yl)-3-methylhex-5-en-3-ol
CID 178185665
1-(benzimidazol-1-yl)-N-ethylpent-4-en-2-amine
CID 105108409

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfanylbenzimidazole?
The IUPAC name of 1-prop-2-enylsulfanylbenzimidazole (CID 67218633) is 1-prop-2-enylsulfanylbenzimidazole.
What is the SMILES notation for 1-prop-2-enylsulfanylbenzimidazole?
The canonical SMILES for 1-prop-2-enylsulfanylbenzimidazole is C=CCSn1cnc2ccccc21.
What is the InChIKey of 1-prop-2-enylsulfanylbenzimidazole?
The InChIKey is LRRZUURWJWREMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-7-13-12-8-11-9-5-3-4-6-10(9)12/h2-6,8H,1,7H2.
What are the key properties of 1-prop-2-enylsulfanylbenzimidazole?
1-prop-2-enylsulfanylbenzimidazole has a molecular weight of 190.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfanylbenzimidazole is sourced from PubChem (CID 67218633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).