2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole

C20H30N2 — CID 69392771

IUPAC2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole
SMILESCCCCCCCc1nc(CCCc2ccccc2)cn1C
InChIInChI=1S/C20H30N2/c1-3-4-5-6-10-16-20-21-19(17-22(20)2)15-11-14-18-12-8-7-9-13-18/h7-9,12-13,17H,3-6,10-11,14-16H2,1-2H3
InChIKeyOMRXTDBNJXQFMG-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.11
Rot. Bonds10

About 2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole

2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole (PubChem CID 69392771) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole.

Molecular Properties

Compound Name2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole
PubChem CID69392771
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole
SMILESCCCCCCCc1nc(CCCc2ccccc2)cn1C
InChIInChI=1S/C20H30N2/c1-3-4-5-6-10-16-20-21-19(17-22(20)2)15-11-14-18-12-8-7-9-13-18/h7-9,12-13,17H,3-6,10-11,14-16H2,1-2H3
InChIKeyOMRXTDBNJXQFMG-UHFFFAOYSA-N
XLogP5.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-decyl-1-methyl-4-(3-phenylpropyl)imidazole
CID 69396106
2,4-didecyl-1-methylimidazole
CID 68813551
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
1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69395730
1-butyl-4-(3-phenylpropyl)-2-tetradecylimidazole
CID 69393201
2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole
CID 69388588
1-pentadecyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69391173
2-dodecyl-1-heptadecyl-4-(3-phenylpropyl)imidazole
CID 69389170
2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole
CID 69391447
1-octadecyl-2-pentyl-4-(3-phenylpropyl)imidazole
CID 69388590

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole?
The IUPAC name of 2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole (CID 69392771) is 2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole.
What is the SMILES notation for 2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole?
The canonical SMILES for 2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole is CCCCCCCc1nc(CCCc2ccccc2)cn1C.
What is the InChIKey of 2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole?
The InChIKey is OMRXTDBNJXQFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-3-4-5-6-10-16-20-21-19(17-22(20)2)15-11-14-18-12-8-7-9-13-18/h7-9,12-13,17H,3-6,10-11,14-16H2,1-2H3.
What are the key properties of 2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole?
2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole has a molecular weight of 298.47 g/mol, XLogP of 5.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-1-methyl-4-(3-phenylpropyl)imidazole is sourced from PubChem (CID 69392771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).