4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile

C15H19N3 — CID 54174955

IUPAC4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile
SMILESCCCCN1C=CN(Cc2ccc(C#N)cc2)C1
InChIInChI=1S/C15H19N3/c1-2-3-8-17-9-10-18(13-17)12-15-6-4-14(11-16)5-7-15/h4-7,9-10H,2-3,8,12-13H2,1H3
InChIKeyOXQJGSKUOMCUCO-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.90
Rot. Bonds5

About 4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile

4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile (PubChem CID 54174955) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile
PubChem CID54174955
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile
SMILESCCCCN1C=CN(Cc2ccc(C#N)cc2)C1
InChIInChI=1S/C15H19N3/c1-2-3-8-17-9-10-18(13-17)12-15-6-4-14(11-16)5-7-15/h4-7,9-10H,2-3,8,12-13H2,1H3
InChIKeyOXQJGSKUOMCUCO-UHFFFAOYSA-N
XLogP2.90
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-[(4-ethenylphenyl)methyl]-2H-imidazole
CID 67099672
1-butyl-3-ethyl-2H-imidazole;hydroiodide
CID 173049590
4-(2-aminohexyl)benzonitrile
CID 174547393
1-[3-(4-chlorophenyl)propyl]-3-heptyl-2H-imidazole;hydrobromide
CID 173367488
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-octyl-3-undecyl-2H-imidazole
CID 69389433
4-heptylbenzonitrile
CID 575863
1-decyl-3-ethyl-2H-imidazole
CID 19864130
4-[[4,5-dichloro-3-[(4-cyanophenyl)methyl]-2H-imidazol-1-yl]methyl]benzonitrile
CID 102053842
acetic acid;1,3-dibutyl-2H-imidazole
CID 174955065
4-[2-(4-pentylphenyl)ethynyl]benzonitrile
CID 57358257

Frequently Asked Questions

What is the IUPAC name of 4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile (CID 54174955) is 4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile is CCCCN1C=CN(Cc2ccc(C#N)cc2)C1.
What is the InChIKey of 4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile?
The InChIKey is OXQJGSKUOMCUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-3-8-17-9-10-18(13-17)12-15-6-4-14(11-16)5-7-15/h4-7,9-10H,2-3,8,12-13H2,1H3.
What are the key properties of 4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile?
4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile has a molecular weight of 241.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-butyl-2H-imidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 54174955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).