3-pentyl-1,2-dihydroimidazole

C8H16N2 — CID 21479082

IUPAC3-pentyl-1,2-dihydroimidazole
SMILESCCCCCN1C=CNC1
InChIInChI=1S/C8H16N2/c1-2-3-4-6-10-7-5-9-8-10/h5,7,9H,2-4,6,8H2,1H3
InChIKeyZAUIASGRUKLEHN-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.51
Rot. Bonds4

About 3-pentyl-1,2-dihydroimidazole

3-pentyl-1,2-dihydroimidazole (PubChem CID 21479082) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-pentyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-pentyl-1,2-dihydroimidazole
PubChem CID21479082
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-pentyl-1,2-dihydroimidazole
SMILESCCCCCN1C=CNC1
InChIInChI=1S/C8H16N2/c1-2-3-4-6-10-7-5-9-8-10/h5,7,9H,2-4,6,8H2,1H3
InChIKeyZAUIASGRUKLEHN-UHFFFAOYSA-N
XLogP1.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
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 3-pentyl-1,2-dihydroimidazole?
The IUPAC name of 3-pentyl-1,2-dihydroimidazole (CID 21479082) is 3-pentyl-1,2-dihydroimidazole.
What is the SMILES notation for 3-pentyl-1,2-dihydroimidazole?
The canonical SMILES for 3-pentyl-1,2-dihydroimidazole is CCCCCN1C=CNC1.
What is the InChIKey of 3-pentyl-1,2-dihydroimidazole?
The InChIKey is ZAUIASGRUKLEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-3-4-6-10-7-5-9-8-10/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of 3-pentyl-1,2-dihydroimidazole?
3-pentyl-1,2-dihydroimidazole has a molecular weight of 140.23 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1,2-dihydroimidazole is sourced from PubChem (CID 21479082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).