1,3,4-tripentyl-2H-imidazole

C18H36N2 — CID 175115544

IUPAC1,3,4-tripentyl-2H-imidazole
SMILESCCCCCC1=CN(CCCCC)CN1CCCCC
InChIInChI=1S/C18H36N2/c1-4-7-10-13-18-16-19(14-11-8-5-2)17-20(18)15-12-9-6-3/h16H,4-15,17H2,1-3H3
InChIKeyJKYSNGWBCDANGV-UHFFFAOYSA-N
MW280.50 g/mol
LogP5.36
Rot. Bonds12

About 1,3,4-tripentyl-2H-imidazole

1,3,4-tripentyl-2H-imidazole (PubChem CID 175115544) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1,3,4-tripentyl-2H-imidazole.

Molecular Properties

Compound Name1,3,4-tripentyl-2H-imidazole
PubChem CID175115544
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1,3,4-tripentyl-2H-imidazole
SMILESCCCCCC1=CN(CCCCC)CN1CCCCC
InChIInChI=1S/C18H36N2/c1-4-7-10-13-18-16-19(14-11-8-5-2)17-20(18)15-12-9-6-3/h16H,4-15,17H2,1-3H3
InChIKeyJKYSNGWBCDANGV-UHFFFAOYSA-N
XLogP5.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.36
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

1,3-Dimethyl-4-pentylimidazole-2-thione
CID 22158435
1,4-dimethyl-3-octyl-2H-imidazole
CID 66679066
13,15-Dimethyl-1,12-diazabicyclo[10.2.1]pentadec-13-ene
CID 91061874
3-hexyl-1,1,5-trimethyl-2H-imidazol-1-ium
CID 123280814
1,2,3,4-tetraethyl-2H-imidazole;2,3,4-triethyl-1-methyl-2H-imidazole
CID 129021263
N'-ethyl-N-methyl-N-nonyl-N'-prop-1-en-2-ylmethanediamine
CID 132156713
3,4-dibutyl-1-propan-2-yl-2H-imidazole
CID 141499001
4-butan-2-yl-1-methyl-3-(2-methylpentan-3-yl)-2H-imidazole;ethane
CID 142041823
2-butyl-1,1,3,4-tetramethyl-2H-imidazol-1-ium
CID 144465401
N-(4,4-dimethylpent-1-en-2-yl)-N'-[1-[2,2-dimethylpropyl(methyl)amino]ethenyl]-N,N'-dimethylpentane-1,5-diamine
CID 146366340
1-N,1-N,1-N',1-N',2-N,2-N-hexaethylundec-1-ene-1,1,2-triamine
CID 150751805
1-N,1-N,1-N',1-N',2-N,2-N-hexapropylundec-1-ene-1,1,2-triamine
CID 151970508

Frequently Asked Questions

What is the IUPAC name of 1,3,4-tripentyl-2H-imidazole?
The IUPAC name of 1,3,4-tripentyl-2H-imidazole (CID 175115544) is 1,3,4-tripentyl-2H-imidazole.
What is the SMILES notation for 1,3,4-tripentyl-2H-imidazole?
The canonical SMILES for 1,3,4-tripentyl-2H-imidazole is CCCCCC1=CN(CCCCC)CN1CCCCC.
What is the InChIKey of 1,3,4-tripentyl-2H-imidazole?
The InChIKey is JKYSNGWBCDANGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-7-10-13-18-16-19(14-11-8-5-2)17-20(18)15-12-9-6-3/h16H,4-15,17H2,1-3H3.
What are the key properties of 1,3,4-tripentyl-2H-imidazole?
1,3,4-tripentyl-2H-imidazole has a molecular weight of 280.50 g/mol, XLogP of 5.36, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-tripentyl-2H-imidazole is sourced from PubChem (CID 175115544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).