1-ethyl-3-pentyl-2H-imidazole

C10H20N2 — CID 66835471

IUPAC1-ethyl-3-pentyl-2H-imidazole
SMILESCCCCCN1C=CN(CC)C1
InChIInChI=1S/C10H20N2/c1-3-5-6-7-12-9-8-11(4-2)10-12/h8-9H,3-7,10H2,1-2H3
InChIKeyIKDJEOCNSORIQP-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.24
Rot. Bonds5

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

1-ethyl-3-pentyl-2H-imidazole (PubChem CID 66835471) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-ethyl-3-pentyl-2H-imidazole.

Molecular Properties

Compound Name1-ethyl-3-pentyl-2H-imidazole
PubChem CID66835471
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-ethyl-3-pentyl-2H-imidazole
SMILESCCCCCN1C=CN(CC)C1
InChIInChI=1S/C10H20N2/c1-3-5-6-7-12-9-8-11(4-2)10-12/h8-9H,3-7,10H2,1-2H3
InChIKeyIKDJEOCNSORIQP-UHFFFAOYSA-N
XLogP2.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-pentyl-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethyl-3-pentyl-2H-imidazole?
The IUPAC name of 1-ethyl-3-pentyl-2H-imidazole (CID 66835471) is 1-ethyl-3-pentyl-2H-imidazole.
What is the SMILES notation for 1-ethyl-3-pentyl-2H-imidazole?
The canonical SMILES for 1-ethyl-3-pentyl-2H-imidazole is CCCCCN1C=CN(CC)C1.
What is the InChIKey of 1-ethyl-3-pentyl-2H-imidazole?
The InChIKey is IKDJEOCNSORIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-5-6-7-12-9-8-11(4-2)10-12/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 1-ethyl-3-pentyl-2H-imidazole?
1-ethyl-3-pentyl-2H-imidazole has a molecular weight of 168.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-pentyl-2H-imidazole is sourced from PubChem (CID 66835471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).