1-heptyl-3-(4-methylphenyl)-2H-imidazole

C17H26N2 — CID 174947129

IUPAC1-heptyl-3-(4-methylphenyl)-2H-imidazole
SMILESCCCCCCCN1C=CN(c2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2/c1-3-4-5-6-7-12-18-13-14-19(15-18)17-10-8-16(2)9-11-17/h8-11,13-14H,3-7,12,15H2,1-2H3
InChIKeyBCEALIJHTULCDO-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.52
Rot. Bonds7

About 1-heptyl-3-(4-methylphenyl)-2H-imidazole

1-heptyl-3-(4-methylphenyl)-2H-imidazole (PubChem CID 174947129) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-heptyl-3-(4-methylphenyl)-2H-imidazole.

Molecular Properties

Compound Name1-heptyl-3-(4-methylphenyl)-2H-imidazole
PubChem CID174947129
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-heptyl-3-(4-methylphenyl)-2H-imidazole
SMILESCCCCCCCN1C=CN(c2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2/c1-3-4-5-6-7-12-18-13-14-19(15-18)17-10-8-16(2)9-11-17/h8-11,13-14H,3-7,12,15H2,1-2H3
InChIKeyBCEALIJHTULCDO-UHFFFAOYSA-N
XLogP4.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hexyl-3-(4-methylphenyl)-2H-imidazole
CID 123548074
1-hexyl-3-(4-methylphenyl)-2H-imidazole;hydrobromide
CID 173052781
1-(4-bromophenyl)-3-hexyl-2H-imidazole
CID 71246087
1-octyl-3-phenyl-2H-imidazole
CID 69387944
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1,3-di(nonyl)-2H-imidazole
CID 69395396

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-3-(4-methylphenyl)-2H-imidazole?
The IUPAC name of 1-heptyl-3-(4-methylphenyl)-2H-imidazole (CID 174947129) is 1-heptyl-3-(4-methylphenyl)-2H-imidazole.
What is the SMILES notation for 1-heptyl-3-(4-methylphenyl)-2H-imidazole?
The canonical SMILES for 1-heptyl-3-(4-methylphenyl)-2H-imidazole is CCCCCCCN1C=CN(c2ccc(C)cc2)C1.
What is the InChIKey of 1-heptyl-3-(4-methylphenyl)-2H-imidazole?
The InChIKey is BCEALIJHTULCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-4-5-6-7-12-18-13-14-19(15-18)17-10-8-16(2)9-11-17/h8-11,13-14H,3-7,12,15H2,1-2H3.
What are the key properties of 1-heptyl-3-(4-methylphenyl)-2H-imidazole?
1-heptyl-3-(4-methylphenyl)-2H-imidazole has a molecular weight of 258.41 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-3-(4-methylphenyl)-2H-imidazole is sourced from PubChem (CID 174947129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).