2-(furan-2-yl)-1-hexylbenzimidazole

C17H20N2O — CID 17000135

IUPAC2-(furan-2-yl)-1-hexylbenzimidazole
SMILESCCCCCCn1c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C17H20N2O/c1-2-3-4-7-12-19-15-10-6-5-9-14(15)18-17(19)16-11-8-13-20-16/h5-6,8-11,13H,2-4,7,12H2,1H3
InChIKeyPXPSMMJFPAQEQT-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.88
Rot. Bonds6

About 2-(furan-2-yl)-1-hexylbenzimidazole

2-(furan-2-yl)-1-hexylbenzimidazole (PubChem CID 17000135) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-hexylbenzimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-1-hexylbenzimidazole
PubChem CID17000135
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(furan-2-yl)-1-hexylbenzimidazole
SMILESCCCCCCn1c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C17H20N2O/c1-2-3-4-7-12-19-15-10-6-5-9-14(15)18-17(19)16-11-8-13-20-16/h5-6,8-11,13H,2-4,7,12H2,1H3
InChIKeyPXPSMMJFPAQEQT-UHFFFAOYSA-N
XLogP4.88
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.88
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-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole
CID 962248
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-dodecyl-2-(2-methylphenyl)benzimidazole
CID 17000610
1-[3-(4-tert-butylphenoxy)propyl]-2-(furan-2-yl)benzimidazole
CID 17000200
1-hexyl-2-[6-(1-hexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;iron(2+);dichloride
CID 70011887
2-[(E)-2-(furan-2-yl)ethenyl]-1-undecylbenzimidazole
CID 16999879
2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 17000191
2-(4-bromophenyl)-1-decylbenzimidazole
CID 17001133
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
2-(4-fluorophenyl)-1-hexylbenzimidazole
CID 19243183
2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-hexylbenzimidazole?
The IUPAC name of 2-(furan-2-yl)-1-hexylbenzimidazole (CID 17000135) is 2-(furan-2-yl)-1-hexylbenzimidazole.
What is the SMILES notation for 2-(furan-2-yl)-1-hexylbenzimidazole?
The canonical SMILES for 2-(furan-2-yl)-1-hexylbenzimidazole is CCCCCCn1c(-c2ccco2)nc2ccccc21.
What is the InChIKey of 2-(furan-2-yl)-1-hexylbenzimidazole?
The InChIKey is PXPSMMJFPAQEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-3-4-7-12-19-15-10-6-5-9-14(15)18-17(19)16-11-8-13-20-16/h5-6,8-11,13H,2-4,7,12H2,1H3.
What are the key properties of 2-(furan-2-yl)-1-hexylbenzimidazole?
2-(furan-2-yl)-1-hexylbenzimidazole has a molecular weight of 268.36 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-hexylbenzimidazole is sourced from PubChem (CID 17000135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).