1-benzyl-5-butylimidazole

C14H18N2 — CID 10059100

IUPAC1-benzyl-5-butylimidazole
SMILESCCCCc1cncn1Cc1ccccc1
InChIInChI=1S/C14H18N2/c1-2-3-9-14-10-15-12-16(14)11-13-7-5-4-6-8-13/h4-8,10,12H,2-3,9,11H2,1H3
InChIKeyIACFHFXXGJEVBQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.27
Rot. Bonds5

About 1-benzyl-5-butylimidazole

1-benzyl-5-butylimidazole (PubChem CID 10059100) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-benzyl-5-butylimidazole.

Molecular Properties

Compound Name1-benzyl-5-butylimidazole
PubChem CID10059100
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-benzyl-5-butylimidazole
SMILESCCCCc1cncn1Cc1ccccc1
InChIInChI=1S/C14H18N2/c1-2-3-9-14-10-15-12-16(14)11-13-7-5-4-6-8-13/h4-8,10,12H,2-3,9,11H2,1H3
InChIKeyIACFHFXXGJEVBQ-UHFFFAOYSA-N
XLogP3.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-butylimidazole?
The IUPAC name of 1-benzyl-5-butylimidazole (CID 10059100) is 1-benzyl-5-butylimidazole.
What is the SMILES notation for 1-benzyl-5-butylimidazole?
The canonical SMILES for 1-benzyl-5-butylimidazole is CCCCc1cncn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-butylimidazole?
The InChIKey is IACFHFXXGJEVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-3-9-14-10-15-12-16(14)11-13-7-5-4-6-8-13/h4-8,10,12H,2-3,9,11H2,1H3.
What are the key properties of 1-benzyl-5-butylimidazole?
1-benzyl-5-butylimidazole has a molecular weight of 214.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-butylimidazole is sourced from PubChem (CID 10059100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).