2-heptyl-1-methyl-3-pentyl-2H-imidazole

C16H32N2 — CID 69387496

IUPAC2-heptyl-1-methyl-3-pentyl-2H-imidazole
SMILESCCCCCCCC1N(C)C=CN1CCCCC
InChIInChI=1S/C16H32N2/c1-4-6-8-9-10-12-16-17(3)14-15-18(16)13-11-7-5-2/h14-16H,4-13H2,1-3H3
InChIKeyRMTJVYZRBXNQDP-UHFFFAOYSA-N
MW252.45 g/mol
LogP4.58
Rot. Bonds10

About 2-heptyl-1-methyl-3-pentyl-2H-imidazole

2-heptyl-1-methyl-3-pentyl-2H-imidazole (PubChem CID 69387496) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-heptyl-1-methyl-3-pentyl-2H-imidazole.

Molecular Properties

Compound Name2-heptyl-1-methyl-3-pentyl-2H-imidazole
PubChem CID69387496
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-heptyl-1-methyl-3-pentyl-2H-imidazole
SMILESCCCCCCCC1N(C)C=CN1CCCCC
InChIInChI=1S/C16H32N2/c1-4-6-8-9-10-12-16-17(3)14-15-18(16)13-11-7-5-2/h14-16H,4-13H2,1-3H3
InChIKeyRMTJVYZRBXNQDP-UHFFFAOYSA-N
XLogP4.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.58
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-2,3-di(nonyl)-2H-imidazole
CID 69396034
2-heptyl-1-methyl-3-nonadecyl-2H-imidazole
CID 69392391
1-dodecyl-3-methyl-2-pentadecyl-2H-imidazole
CID 69389602
2-butyl-1-methyl-3-octyl-2H-imidazole
CID 69390542
2-butyl-1-dodecyl-3-methyl-2H-imidazole
CID 69393708
1,2-dihexyl-3-methyl-2H-imidazole;sulfuric acid
CID 174520441
2-hexyl-1-octadecyl-3-pentyl-2H-imidazole
CID 69390682
1-heptadecyl-2,3-dioctadecyl-2H-imidazole
CID 69389469
1-heptadecyl-2-hexyl-3-nonyl-2H-imidazole
CID 69387199
1-hexyl-3-octadecyl-2-octyl-2H-imidazole
CID 69393132
1-heptyl-2-hexadecyl-3-octyl-2H-imidazole
CID 69392232
2-heptyl-1-tetradecyl-3-undecyl-2H-imidazole
CID 69388972

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-1-methyl-3-pentyl-2H-imidazole?
The IUPAC name of 2-heptyl-1-methyl-3-pentyl-2H-imidazole (CID 69387496) is 2-heptyl-1-methyl-3-pentyl-2H-imidazole.
What is the SMILES notation for 2-heptyl-1-methyl-3-pentyl-2H-imidazole?
The canonical SMILES for 2-heptyl-1-methyl-3-pentyl-2H-imidazole is CCCCCCCC1N(C)C=CN1CCCCC.
What is the InChIKey of 2-heptyl-1-methyl-3-pentyl-2H-imidazole?
The InChIKey is RMTJVYZRBXNQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-6-8-9-10-12-16-17(3)14-15-18(16)13-11-7-5-2/h14-16H,4-13H2,1-3H3.
What are the key properties of 2-heptyl-1-methyl-3-pentyl-2H-imidazole?
2-heptyl-1-methyl-3-pentyl-2H-imidazole has a molecular weight of 252.45 g/mol, XLogP of 4.58, 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-3-pentyl-2H-imidazole is sourced from PubChem (CID 69387496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).