4,5-dipentyl-1H-imidazole

C13H24N2 — CID 66778912

IUPAC4,5-dipentyl-1H-imidazole
SMILESCCCCCc1nc[nH]c1CCCCC
InChIInChI=1S/C13H24N2/c1-3-5-7-9-12-13(15-11-14-12)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyBVYIRHNTUGXQPF-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.88
Rot. Bonds8

About 4,5-dipentyl-1H-imidazole

4,5-dipentyl-1H-imidazole (PubChem CID 66778912) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4,5-dipentyl-1H-imidazole.

Molecular Properties

Compound Name4,5-dipentyl-1H-imidazole
PubChem CID66778912
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4,5-dipentyl-1H-imidazole
SMILESCCCCCc1nc[nH]c1CCCCC
InChIInChI=1S/C13H24N2/c1-3-5-7-9-12-13(15-11-14-12)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,14,15)
InChIKeyBVYIRHNTUGXQPF-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-dioctadecyl-1H-imidazole
CID 141093260
4,5-di(nonyl)-1H-imidazole;1H-pyridin-2-one
CID 160507940
4-heptyl-5-methyl-1H-imidazole
CID 89069470
4,5-dihexyl-1H-imidazole;ethyl-bis(3-fluorophenyl)borane
CID 67927722
CID 161334491
CID 161334491
4-hexyl-5-hydroxy-1H-pyrimidin-6-one
CID 148952934
6-tetradecyl-7H-purine
CID 101215358
6-heptyl-1,7-dihydropurine-2-thione
CID 19689093
5-hexyl-1H-imidazole
CID 14225142
3,4,5-trihexyl-1H-pyrazole
CID 139676560
3,4,5-trioctyl-1H-pyrazole
CID 139676561
4,5,6-trioctylpyrimidine
CID 91147699

Frequently Asked Questions

What is the IUPAC name of 4,5-dipentyl-1H-imidazole?
The IUPAC name of 4,5-dipentyl-1H-imidazole (CID 66778912) is 4,5-dipentyl-1H-imidazole.
What is the SMILES notation for 4,5-dipentyl-1H-imidazole?
The canonical SMILES for 4,5-dipentyl-1H-imidazole is CCCCCc1nc[nH]c1CCCCC.
What is the InChIKey of 4,5-dipentyl-1H-imidazole?
The InChIKey is BVYIRHNTUGXQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-5-7-9-12-13(15-11-14-12)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,14,15).
What are the key properties of 4,5-dipentyl-1H-imidazole?
4,5-dipentyl-1H-imidazole has a molecular weight of 208.35 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipentyl-1H-imidazole is sourced from PubChem (CID 66778912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).