2-pentyl-4,5-dihydro-1H-imidazole

C8H16N2 — CID 12782

IUPAC2-pentyl-4,5-dihydro-1H-imidazole
SMILESCCCCCC1=NCCN1
InChIInChI=1S/C8H16N2/c1-2-3-4-5-8-9-6-7-10-8/h2-7H2,1H3,(H,9,10)
InChIKeyRBRDDDOKFJWHNR-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.57
Rot. Bonds4

About 2-pentyl-4,5-dihydro-1H-imidazole

2-pentyl-4,5-dihydro-1H-imidazole (PubChem CID 12782) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-pentyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-pentyl-4,5-dihydro-1H-imidazole
PubChem CID12782
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-pentyl-4,5-dihydro-1H-imidazole
SMILESCCCCCC1=NCCN1
InChIInChI=1S/C8H16N2/c1-2-3-4-5-8-9-6-7-10-8/h2-7H2,1H3,(H,9,10)
InChIKeyRBRDDDOKFJWHNR-UHFFFAOYSA-N
XLogP1.57
TPSA24.39 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 ≤ 51.57
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 2-pentyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-pentyl-4,5-dihydro-1H-imidazole (CID 12782) is 2-pentyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-pentyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-pentyl-4,5-dihydro-1H-imidazole is CCCCCC1=NCCN1.
What is the InChIKey of 2-pentyl-4,5-dihydro-1H-imidazole?
The InChIKey is RBRDDDOKFJWHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-3-4-5-8-9-6-7-10-8/h2-7H2,1H3,(H,9,10).
What are the key properties of 2-pentyl-4,5-dihydro-1H-imidazole?
2-pentyl-4,5-dihydro-1H-imidazole has a molecular weight of 140.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 12782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).