1-pentyl-2-phenyl-4,5-dihydroimidazole

C14H20N2 — CID 70129684

IUPAC1-pentyl-2-phenyl-4,5-dihydroimidazole
SMILESCCCCCN1CCN=C1c1ccccc1
InChIInChI=1S/C14H20N2/c1-2-3-7-11-16-12-10-15-14(16)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKeyKFDCRBRIPYRFHP-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.94
Rot. Bonds5

About 1-pentyl-2-phenyl-4,5-dihydroimidazole

1-pentyl-2-phenyl-4,5-dihydroimidazole (PubChem CID 70129684) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-pentyl-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-pentyl-2-phenyl-4,5-dihydroimidazole
PubChem CID70129684
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-pentyl-2-phenyl-4,5-dihydroimidazole
SMILESCCCCCN1CCN=C1c1ccccc1
InChIInChI=1S/C14H20N2/c1-2-3-7-11-16-12-10-15-14(16)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3
InChIKeyKFDCRBRIPYRFHP-UHFFFAOYSA-N
XLogP2.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 1-pentyl-2-phenyl-4,5-dihydroimidazole (CID 70129684) is 1-pentyl-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-pentyl-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-pentyl-2-phenyl-4,5-dihydroimidazole is CCCCCN1CCN=C1c1ccccc1.
What is the InChIKey of 1-pentyl-2-phenyl-4,5-dihydroimidazole?
The InChIKey is KFDCRBRIPYRFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-3-7-11-16-12-10-15-14(16)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12H2,1H3.
What are the key properties of 1-pentyl-2-phenyl-4,5-dihydroimidazole?
1-pentyl-2-phenyl-4,5-dihydroimidazole has a molecular weight of 216.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 70129684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).