[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol

C12H14F2N2O — CID 90307140

IUPAC[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol
SMILESOCc1nc2cc(F)ccc2n1CCCCF
InChIInChI=1S/C12H14F2N2O/c13-5-1-2-6-16-11-4-3-9(14)7-10(11)15-12(16)8-17/h3-4,7,17H,1-2,5-6,8H2
InChIKeySJMYOFAICDOYFH-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.42
Rot. Bonds5

About [5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol

[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol (PubChem CID 90307140) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is [5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol
PubChem CID90307140
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol
SMILESOCc1nc2cc(F)ccc2n1CCCCF
InChIInChI=1S/C12H14F2N2O/c13-5-1-2-6-16-11-4-3-9(14)7-10(11)15-12(16)8-17/h3-4,7,17H,1-2,5-6,8H2
InChIKeySJMYOFAICDOYFH-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.42
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

2-(chloromethyl)-5-fluoro-1-(4-fluorobutyl)benzimidazole
CID 90307136
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
[5-fluoro-1-(2-methylprop-2-enyl)benzimidazol-2-yl]methanol
CID 82332366
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280
1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]pyrido[3,4-b]pyrazin-2-one
CID 90307148
5-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]pentanamide
CID 106240434
1-[[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-6-methylquinoxalin-2-one
CID 159750900
5-chloro-2-(chloromethyl)-1-(4-fluorobutyl)benzimidazole
CID 67992653
2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol
CID 82332433
(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
2-(hydroxymethyl)-1-(3-hydroxypropyl)benzimidazole-5-carboxylic acid
CID 46308423
2-(chloromethyl)-5-fluoro-1-(7-methyloctyl)benzimidazole
CID 107817097

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol?
The IUPAC name of [5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol (CID 90307140) is [5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol is OCc1nc2cc(F)ccc2n1CCCCF.
What is the InChIKey of [5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol?
The InChIKey is SJMYOFAICDOYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-5-1-2-6-16-11-4-3-9(14)7-10(11)15-12(16)8-17/h3-4,7,17H,1-2,5-6,8H2.
What are the key properties of [5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol?
[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol has a molecular weight of 240.25 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 90307140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).