5-butyl-1-(cyclohexylmethyl)imidazole

C14H24N2 — CID 70647747

IUPAC5-butyl-1-(cyclohexylmethyl)imidazole
SMILESCCCCc1cncn1CC1CCCCC1
InChIInChI=1S/C14H24N2/c1-2-3-9-14-10-15-12-16(14)11-13-7-5-4-6-8-13/h10,12-13H,2-9,11H2,1H3
InChIKeyNOZLBMITJKOLAB-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.81
Rot. Bonds5

About 5-butyl-1-(cyclohexylmethyl)imidazole

5-butyl-1-(cyclohexylmethyl)imidazole (PubChem CID 70647747) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-butyl-1-(cyclohexylmethyl)imidazole.

Molecular Properties

Compound Name5-butyl-1-(cyclohexylmethyl)imidazole
PubChem CID70647747
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name5-butyl-1-(cyclohexylmethyl)imidazole
SMILESCCCCc1cncn1CC1CCCCC1
InChIInChI=1S/C14H24N2/c1-2-3-9-14-10-15-12-16(14)11-13-7-5-4-6-8-13/h10,12-13H,2-9,11H2,1H3
InChIKeyNOZLBMITJKOLAB-UHFFFAOYSA-N
XLogP3.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-(cyclohexylmethyl)imidazole?
The IUPAC name of 5-butyl-1-(cyclohexylmethyl)imidazole (CID 70647747) is 5-butyl-1-(cyclohexylmethyl)imidazole.
What is the SMILES notation for 5-butyl-1-(cyclohexylmethyl)imidazole?
The canonical SMILES for 5-butyl-1-(cyclohexylmethyl)imidazole is CCCCc1cncn1CC1CCCCC1.
What is the InChIKey of 5-butyl-1-(cyclohexylmethyl)imidazole?
The InChIKey is NOZLBMITJKOLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-3-9-14-10-15-12-16(14)11-13-7-5-4-6-8-13/h10,12-13H,2-9,11H2,1H3.
What are the key properties of 5-butyl-1-(cyclohexylmethyl)imidazole?
5-butyl-1-(cyclohexylmethyl)imidazole has a molecular weight of 220.36 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-(cyclohexylmethyl)imidazole is sourced from PubChem (CID 70647747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).