2-methylsulfanyl-1-pentylbenzimidazole

C13H18N2S — CID 112774737

IUPAC2-methylsulfanyl-1-pentylbenzimidazole
SMILESCCCCCn1c(SC)nc2ccccc21
InChIInChI=1S/C13H18N2S/c1-3-4-7-10-15-12-9-6-5-8-11(12)14-13(15)16-2/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyVCLCXZJHZGBQGB-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.95
Rot. Bonds5

About 2-methylsulfanyl-1-pentylbenzimidazole

2-methylsulfanyl-1-pentylbenzimidazole (PubChem CID 112774737) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-methylsulfanyl-1-pentylbenzimidazole.

Molecular Properties

Compound Name2-methylsulfanyl-1-pentylbenzimidazole
PubChem CID112774737
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name2-methylsulfanyl-1-pentylbenzimidazole
SMILESCCCCCn1c(SC)nc2ccccc21
InChIInChI=1S/C13H18N2S/c1-3-4-7-10-15-12-9-6-5-8-11(12)14-13(15)16-2/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyVCLCXZJHZGBQGB-UHFFFAOYSA-N
XLogP3.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 84601695
ethyl 4-(2-methylsulfanylbenzimidazol-1-yl)butanoate
CID 155778353
2-benzylsulfanyl-1-heptylbenzimidazole;hydrobromide
CID 2851940
2-benzylsulfanyl-1-butylbenzimidazole
CID 46731856
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-tert-butyl-1-pentylbenzimidazole
CID 17000368
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
(1-pentylbenzimidazol-2-yl)hydrazine
CID 4136867
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774728

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-pentylbenzimidazole?
The IUPAC name of 2-methylsulfanyl-1-pentylbenzimidazole (CID 112774737) is 2-methylsulfanyl-1-pentylbenzimidazole.
What is the SMILES notation for 2-methylsulfanyl-1-pentylbenzimidazole?
The canonical SMILES for 2-methylsulfanyl-1-pentylbenzimidazole is CCCCCn1c(SC)nc2ccccc21.
What is the InChIKey of 2-methylsulfanyl-1-pentylbenzimidazole?
The InChIKey is VCLCXZJHZGBQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-3-4-7-10-15-12-9-6-5-8-11(12)14-13(15)16-2/h5-6,8-9H,3-4,7,10H2,1-2H3.
What are the key properties of 2-methylsulfanyl-1-pentylbenzimidazole?
2-methylsulfanyl-1-pentylbenzimidazole has a molecular weight of 234.37 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-pentylbenzimidazole is sourced from PubChem (CID 112774737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).