1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole

C22H22N2O — CID 17000154

IUPAC1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole
SMILESCCC(C)c1ccc(Cn2c(-c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C22H22N2O/c1-3-16(2)18-12-10-17(11-13-18)15-24-20-8-5-4-7-19(20)23-22(24)21-9-6-14-25-21/h4-14,16H,3,15H2,1-2H3
InChIKeyXJJMMQHNSRENJE-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.86
Rot. Bonds5

About 1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole

1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole (PubChem CID 17000154) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole.

Molecular Properties

Compound Name1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole
PubChem CID17000154
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole
SMILESCCC(C)c1ccc(Cn2c(-c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C22H22N2O/c1-3-16(2)18-12-10-17(11-13-18)15-24-20-8-5-4-7-19(20)23-22(24)21-9-6-14-25-21/h4-14,16H,3,15H2,1-2H3
InChIKeyXJJMMQHNSRENJE-UHFFFAOYSA-N
XLogP5.86
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-butan-2-ylphenyl)methyl]-2-thiophen-2-ylbenzimidazole
CID 17000265
2-(furan-2-yl)-1-(3-methylbutyl)benzimidazole
CID 962248
1-[(4-butan-2-ylphenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999559
2-(furan-2-yl)-1-hexylbenzimidazole
CID 17000135
4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885134
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16968587
(4R)-4-[1-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 40841199
1-[(4-butan-2-ylphenyl)methyl]-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998333
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006059
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967495
2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole
CID 70368929
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16973188

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole?
The IUPAC name of 1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole (CID 17000154) is 1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole.
What is the SMILES notation for 1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole?
The canonical SMILES for 1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole is CCC(C)c1ccc(Cn2c(-c3ccco3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole?
The InChIKey is XJJMMQHNSRENJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-3-16(2)18-12-10-17(11-13-18)15-24-20-8-5-4-7-19(20)23-22(24)21-9-6-14-25-21/h4-14,16H,3,15H2,1-2H3.
What are the key properties of 1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole?
1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole has a molecular weight of 330.43 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butan-2-ylphenyl)methyl]-2-(furan-2-yl)benzimidazole is sourced from PubChem (CID 17000154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).