2-nonyl-1-propan-2-yl-4,5-dihydroimidazole

C15H30N2 — CID 19844003

IUPAC2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
SMILESCCCCCCCCCC1=NCCN1C(C)C
InChIInChI=1S/C15H30N2/c1-4-5-6-7-8-9-10-11-15-16-12-13-17(15)14(2)3/h14H,4-13H2,1-3H3
InChIKeyPKFIUEDYMQDOBU-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.25
Rot. Bonds9

About 2-nonyl-1-propan-2-yl-4,5-dihydroimidazole

2-nonyl-1-propan-2-yl-4,5-dihydroimidazole (PubChem CID 19844003) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-nonyl-1-propan-2-yl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
PubChem CID19844003
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-nonyl-1-propan-2-yl-4,5-dihydroimidazole
SMILESCCCCCCCCCC1=NCCN1C(C)C
InChIInChI=1S/C15H30N2/c1-4-5-6-7-8-9-10-11-15-16-12-13-17(15)14(2)3/h14H,4-13H2,1-3H3
InChIKeyPKFIUEDYMQDOBU-UHFFFAOYSA-N
XLogP4.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-nonyl-1-propan-2-yl-4,5-dihydroimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-1-propan-2-yl-4,5-dihydroimidazole?
The IUPAC name of 2-nonyl-1-propan-2-yl-4,5-dihydroimidazole (CID 19844003) is 2-nonyl-1-propan-2-yl-4,5-dihydroimidazole.
What is the SMILES notation for 2-nonyl-1-propan-2-yl-4,5-dihydroimidazole?
The canonical SMILES for 2-nonyl-1-propan-2-yl-4,5-dihydroimidazole is CCCCCCCCCC1=NCCN1C(C)C.
What is the InChIKey of 2-nonyl-1-propan-2-yl-4,5-dihydroimidazole?
The InChIKey is PKFIUEDYMQDOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-5-6-7-8-9-10-11-15-16-12-13-17(15)14(2)3/h14H,4-13H2,1-3H3.
What are the key properties of 2-nonyl-1-propan-2-yl-4,5-dihydroimidazole?
2-nonyl-1-propan-2-yl-4,5-dihydroimidazole has a molecular weight of 238.42 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-1-propan-2-yl-4,5-dihydroimidazole is sourced from PubChem (CID 19844003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).