2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole

C16H18N2O — CID 962248

IUPAC2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole
SMILESCC(C)CCn1c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C16H18N2O/c1-12(2)9-10-18-14-7-4-3-6-13(14)17-16(18)15-8-5-11-19-15/h3-8,11-12H,9-10H2,1-2H3
InChIKeyHILGTUAXAMHDQZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.34
Rot. Bonds4

About 2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole

2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole (PubChem CID 962248) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole
PubChem CID962248
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole
SMILESCC(C)CCn1c(-c2ccco2)nc2ccccc21
InChIInChI=1S/C16H18N2O/c1-12(2)9-10-18-14-7-4-3-6-13(14)17-16(18)15-8-5-11-19-15/h3-8,11-12H,9-10H2,1-2H3
InChIKeyHILGTUAXAMHDQZ-UHFFFAOYSA-N
XLogP4.34
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole?
The IUPAC name of 2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole (CID 962248) is 2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole.
What is the SMILES notation for 2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole?
The canonical SMILES for 2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole is CC(C)CCn1c(-c2ccco2)nc2ccccc21.
What is the InChIKey of 2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole?
The InChIKey is HILGTUAXAMHDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(2)9-10-18-14-7-4-3-6-13(14)17-16(18)15-8-5-11-19-15/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole?
2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole has a molecular weight of 254.33 g/mol, XLogP of 4.34, 4 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-(3-methylbutyl)benzimidazole is sourced from PubChem (CID 962248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).