1-butyl-4-(3-phenylpropyl)-2-propylimidazole

C19H28N2 — CID 69392819

IUPAC1-butyl-4-(3-phenylpropyl)-2-propylimidazole
SMILESCCCCn1cc(CCCc2ccccc2)nc1CCC
InChIInChI=1S/C19H28N2/c1-3-5-15-21-16-18(20-19(21)10-4-2)14-9-13-17-11-7-6-8-12-17/h6-8,11-12,16H,3-5,9-10,13-15H2,1-2H3
InChIKeyLCYVURBFLCPVFD-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.81
Rot. Bonds9

About 1-butyl-4-(3-phenylpropyl)-2-propylimidazole

1-butyl-4-(3-phenylpropyl)-2-propylimidazole (PubChem CID 69392819) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-butyl-4-(3-phenylpropyl)-2-propylimidazole.

Molecular Properties

Compound Name1-butyl-4-(3-phenylpropyl)-2-propylimidazole
PubChem CID69392819
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1-butyl-4-(3-phenylpropyl)-2-propylimidazole
SMILESCCCCn1cc(CCCc2ccccc2)nc1CCC
InChIInChI=1S/C19H28N2/c1-3-5-15-21-16-18(20-19(21)10-4-2)14-9-13-17-11-7-6-8-12-17/h6-8,11-12,16H,3-5,9-10,13-15H2,1-2H3
InChIKeyLCYVURBFLCPVFD-UHFFFAOYSA-N
XLogP4.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole
CID 69393201
1-butyl-2-nonyl-4-(3-phenylpropyl)imidazole
CID 69394651
1-heptyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69394508
1-heptadecyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69392845
1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69394705
1-hexadecyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69394149
1-octyl-4-(3-phenylpropyl)-2-undecylimidazole
CID 69393954
2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole
CID 69388588
1-pentadecyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69391173
1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69395730
2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole
CID 69391447
2-dodecyl-1-heptadecyl-4-(3-phenylpropyl)imidazole
CID 69389170

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(3-phenylpropyl)-2-propylimidazole?
The IUPAC name of 1-butyl-4-(3-phenylpropyl)-2-propylimidazole (CID 69392819) is 1-butyl-4-(3-phenylpropyl)-2-propylimidazole.
What is the SMILES notation for 1-butyl-4-(3-phenylpropyl)-2-propylimidazole?
The canonical SMILES for 1-butyl-4-(3-phenylpropyl)-2-propylimidazole is CCCCn1cc(CCCc2ccccc2)nc1CCC.
What is the InChIKey of 1-butyl-4-(3-phenylpropyl)-2-propylimidazole?
The InChIKey is LCYVURBFLCPVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-3-5-15-21-16-18(20-19(21)10-4-2)14-9-13-17-11-7-6-8-12-17/h6-8,11-12,16H,3-5,9-10,13-15H2,1-2H3.
What are the key properties of 1-butyl-4-(3-phenylpropyl)-2-propylimidazole?
1-butyl-4-(3-phenylpropyl)-2-propylimidazole has a molecular weight of 284.45 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-phenylpropyl)-2-propylimidazole is sourced from PubChem (CID 69392819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).