1-butyl-3-pentyl-2H-imidazole

C12H24N2 — CID 66857532

IUPAC1-butyl-3-pentyl-2H-imidazole
SMILESCCCCCN1C=CN(CCCC)C1
InChIInChI=1S/C12H24N2/c1-3-5-7-9-14-11-10-13(12-14)8-6-4-2/h10-11H,3-9,12H2,1-2H3
InChIKeyGDRJWEAGXGHSOG-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.02
Rot. Bonds7

About 1-butyl-3-pentyl-2H-imidazole

1-butyl-3-pentyl-2H-imidazole (PubChem CID 66857532) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-butyl-3-pentyl-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3-pentyl-2H-imidazole
PubChem CID66857532
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-butyl-3-pentyl-2H-imidazole
SMILESCCCCCN1C=CN(CCCC)C1
InChIInChI=1S/C12H24N2/c1-3-5-7-9-14-11-10-13(12-14)8-6-4-2/h10-11H,3-9,12H2,1-2H3
InChIKeyGDRJWEAGXGHSOG-UHFFFAOYSA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.02
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-Butyl-3-methylimidazolium Bromide
CID 25153273
1-Methyl-3-octylimidazolium bromide
CID 60196376
1-Hexyl-3-methylimidazole
CID 18513318
1-Octyl-3-methyl imidazole
CID 21321822
1-Methyl-3-[5-(3-methyl-2-methylideneimidazol-1-yl)pentyl]imidazole-2-selone
CID 177646805
1-Butyl-3-methyl-2,3-dihydro-1H-imidazole
CID 10265934
1-Pentyl-3-methylimidazole
CID 19604648
1-Propyl-3-methylimidazole
CID 21917382
1-Methyl-3-[5-(3-methyl-2-methylideneimidazol-1-yl)pentyl]imidazole-2-thione
CID 177646793
2,3-Dimethyl-1-butylimidazole
CID 2782664
1-methyl-3-nonyl-2H-imidazole
CID 17865358
1-heptyl-3-methyl-2H-imidazole
CID 17865360

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-pentyl-2H-imidazole?
The IUPAC name of 1-butyl-3-pentyl-2H-imidazole (CID 66857532) is 1-butyl-3-pentyl-2H-imidazole.
What is the SMILES notation for 1-butyl-3-pentyl-2H-imidazole?
The canonical SMILES for 1-butyl-3-pentyl-2H-imidazole is CCCCCN1C=CN(CCCC)C1.
What is the InChIKey of 1-butyl-3-pentyl-2H-imidazole?
The InChIKey is GDRJWEAGXGHSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-5-7-9-14-11-10-13(12-14)8-6-4-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 1-butyl-3-pentyl-2H-imidazole?
1-butyl-3-pentyl-2H-imidazole has a molecular weight of 196.34 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-pentyl-2H-imidazole is sourced from PubChem (CID 66857532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).