1-(benzimidazol-1-yl)decan-2-ol

C17H26N2O — CID 105085738

IUPAC1-(benzimidazol-1-yl)decan-2-ol
SMILESCCCCCCCCC(O)Cn1cnc2ccccc21
InChIInChI=1S/C17H26N2O/c1-2-3-4-5-6-7-10-15(20)13-19-14-18-16-11-8-9-12-17(16)19/h8-9,11-12,14-15,20H,2-7,10,13H2,1H3
InChIKeyBJIXFMIOYPYKOP-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.15
Rot. Bonds9

About 1-(benzimidazol-1-yl)decan-2-ol

1-(benzimidazol-1-yl)decan-2-ol (PubChem CID 105085738) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)decan-2-ol.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)decan-2-ol
PubChem CID105085738
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(benzimidazol-1-yl)decan-2-ol
SMILESCCCCCCCCC(O)Cn1cnc2ccccc21
InChIInChI=1S/C17H26N2O/c1-2-3-4-5-6-7-10-15(20)13-19-14-18-16-11-8-9-12-17(16)19/h8-9,11-12,14-15,20H,2-7,10,13H2,1H3
InChIKeyBJIXFMIOYPYKOP-UHFFFAOYSA-N
XLogP4.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 59202249
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CID 105125140
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
bis(1-butylbenzimidazole);ethane
CID 142164287
1-(butylsulfanylmethyl)benzimidazole
CID 4304990
1-(benzimidazol-1-yl)-3-methylbut-3-en-2-ol
CID 105110467
N-[2-(benzimidazol-1-yl)ethyl]hexan-1-amine
CID 62563672
(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 819220
1-octan-3-ylbenzimidazole
CID 57027329
[1-(benzimidazol-1-yl)-4-ethyloctan-2-yl]hydrazine
CID 105288251

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)decan-2-ol?
The IUPAC name of 1-(benzimidazol-1-yl)decan-2-ol (CID 105085738) is 1-(benzimidazol-1-yl)decan-2-ol.
What is the SMILES notation for 1-(benzimidazol-1-yl)decan-2-ol?
The canonical SMILES for 1-(benzimidazol-1-yl)decan-2-ol is CCCCCCCCC(O)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)decan-2-ol?
The InChIKey is BJIXFMIOYPYKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-3-4-5-6-7-10-15(20)13-19-14-18-16-11-8-9-12-17(16)19/h8-9,11-12,14-15,20H,2-7,10,13H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)decan-2-ol?
1-(benzimidazol-1-yl)decan-2-ol has a molecular weight of 274.41 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)decan-2-ol is sourced from PubChem (CID 105085738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).