1-hexyl-2,3-di(propan-2-yl)-2H-imidazole

C15H30N2 — CID 69393947

IUPAC1-hexyl-2,3-di(propan-2-yl)-2H-imidazole
SMILESCCCCCCN1C=CN(C(C)C)C1C(C)C
InChIInChI=1S/C15H30N2/c1-6-7-8-9-10-16-11-12-17(14(4)5)15(16)13(2)3/h11-15H,6-10H2,1-5H3
InChIKeyLRMOWQGWSIBIGU-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.05
Rot. Bonds7

About 1-hexyl-2,3-di(propan-2-yl)-2H-imidazole

1-hexyl-2,3-di(propan-2-yl)-2H-imidazole (PubChem CID 69393947) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-hexyl-2,3-di(propan-2-yl)-2H-imidazole.

Molecular Properties

Compound Name1-hexyl-2,3-di(propan-2-yl)-2H-imidazole
PubChem CID69393947
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-hexyl-2,3-di(propan-2-yl)-2H-imidazole
SMILESCCCCCCN1C=CN(C(C)C)C1C(C)C
InChIInChI=1S/C15H30N2/c1-6-7-8-9-10-16-11-12-17(14(4)5)15(16)13(2)3/h11-15H,6-10H2,1-5H3
InChIKeyLRMOWQGWSIBIGU-UHFFFAOYSA-N
XLogP4.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.05
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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Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2,3-di(propan-2-yl)-2H-imidazole?
The IUPAC name of 1-hexyl-2,3-di(propan-2-yl)-2H-imidazole (CID 69393947) is 1-hexyl-2,3-di(propan-2-yl)-2H-imidazole.
What is the SMILES notation for 1-hexyl-2,3-di(propan-2-yl)-2H-imidazole?
The canonical SMILES for 1-hexyl-2,3-di(propan-2-yl)-2H-imidazole is CCCCCCN1C=CN(C(C)C)C1C(C)C.
What is the InChIKey of 1-hexyl-2,3-di(propan-2-yl)-2H-imidazole?
The InChIKey is LRMOWQGWSIBIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-7-8-9-10-16-11-12-17(14(4)5)15(16)13(2)3/h11-15H,6-10H2,1-5H3.
What are the key properties of 1-hexyl-2,3-di(propan-2-yl)-2H-imidazole?
1-hexyl-2,3-di(propan-2-yl)-2H-imidazole has a molecular weight of 238.42 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2,3-di(propan-2-yl)-2H-imidazole is sourced from PubChem (CID 69393947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).