2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol

C15H22N2S — CID 82333345

IUPAC2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol
SMILESCCCCCn1c(CCS)nc2cc(C)ccc21
InChIInChI=1S/C15H22N2S/c1-3-4-5-9-17-14-7-6-12(2)11-13(14)16-15(17)8-10-18/h6-7,11,18H,3-5,8-10H2,1-2H3
InChIKeyNUUAPHGFOWTVGA-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.01
Rot. Bonds6

About 2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol

2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol (PubChem CID 82333345) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol
PubChem CID82333345
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol
SMILESCCCCCn1c(CCS)nc2cc(C)ccc21
InChIInChI=1S/C15H22N2S/c1-3-4-5-9-17-14-7-6-12(2)11-13(14)16-15(17)8-10-18/h6-7,11,18H,3-5,8-10H2,1-2H3
InChIKeyNUUAPHGFOWTVGA-UHFFFAOYSA-N
XLogP4.01
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
N-[2-(1-butyl-5-methylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333142
2-(1,5-dimethylbenzimidazol-2-yl)ethanethiol
CID 82333350
2-(2-chloroethyl)-1-(3-ethylsulfanylpropyl)-5-methylbenzimidazole
CID 114248558
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol
CID 82311836
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333047
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
3-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82332974
[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333288

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol?
The IUPAC name of 2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol (CID 82333345) is 2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol.
What is the SMILES notation for 2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol?
The canonical SMILES for 2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol is CCCCCn1c(CCS)nc2cc(C)ccc21.
What is the InChIKey of 2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol?
The InChIKey is NUUAPHGFOWTVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-3-4-5-9-17-14-7-6-12(2)11-13(14)16-15(17)8-10-18/h6-7,11,18H,3-5,8-10H2,1-2H3.
What are the key properties of 2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol?
2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol has a molecular weight of 262.42 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-pentylbenzimidazol-2-yl)ethanethiol is sourced from PubChem (CID 82333345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).