1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole

C14H28N2 — CID 69389629

IUPAC1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole
SMILESCCCCCCCN1C=CN(C)C1C(C)C
InChIInChI=1S/C14H28N2/c1-5-6-7-8-9-10-16-12-11-15(4)14(16)13(2)3/h11-14H,5-10H2,1-4H3
InChIKeyBBHYWLDQXFUMGQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.66
Rot. Bonds7

About 1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole

1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole (PubChem CID 69389629) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole
PubChem CID69389629
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole
SMILESCCCCCCCN1C=CN(C)C1C(C)C
InChIInChI=1S/C14H28N2/c1-5-6-7-8-9-10-16-12-11-15(4)14(16)13(2)3/h11-14H,5-10H2,1-4H3
InChIKeyBBHYWLDQXFUMGQ-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.66
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

1-Methyl-3-octylimidazolium bromide
CID 60196376
1-Hexyl-3-methylimidazole
CID 18513318
1-Octyl-3-methyl imidazole
CID 21321822
1-Pentyl-3-methylimidazole
CID 19604648
2,3-Dimethyl-1-butylimidazole
CID 2782664
1-methyl-3-nonyl-2H-imidazole
CID 17865358
1-heptyl-3-methyl-2H-imidazole
CID 17865360
1-methyl-3-octadecyl-2H-imidazole
CID 18183998
1-Decyl-3-methylimidazole
CID 18513308
1-Hexadecyl-3-methylimidazole
CID 18513310
1-Dodecyl-3-methylimidazole
CID 18513314
1-ethenyl-3-octadecyl-2H-imidazole
CID 18679097

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole?
The IUPAC name of 1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole (CID 69389629) is 1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole.
What is the SMILES notation for 1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole?
The canonical SMILES for 1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole is CCCCCCCN1C=CN(C)C1C(C)C.
What is the InChIKey of 1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole?
The InChIKey is BBHYWLDQXFUMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-6-7-8-9-10-16-12-11-15(4)14(16)13(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole?
1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole has a molecular weight of 224.39 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-3-methyl-2-propan-2-yl-2H-imidazole is sourced from PubChem (CID 69389629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).