5-[3-(2-methylpropoxy)propyl]-1H-imidazole

C10H18N2O — CID 10821309

IUPAC5-[3-(2-methylpropoxy)propyl]-1H-imidazole
SMILESCC(C)COCCCc1cnc[nH]1
InChIInChI=1S/C10H18N2O/c1-9(2)7-13-5-3-4-10-6-11-8-12-10/h6,8-9H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyUGCARVZTSWHUTP-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.01
Rot. Bonds6

About 5-[3-(2-methylpropoxy)propyl]-1H-imidazole

5-[3-(2-methylpropoxy)propyl]-1H-imidazole (PubChem CID 10821309) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 5-[3-(2-methylpropoxy)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(2-methylpropoxy)propyl]-1H-imidazole
PubChem CID10821309
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name5-[3-(2-methylpropoxy)propyl]-1H-imidazole
SMILESCC(C)COCCCc1cnc[nH]1
InChIInChI=1S/C10H18N2O/c1-9(2)7-13-5-3-4-10-6-11-8-12-10/h6,8-9H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyUGCARVZTSWHUTP-UHFFFAOYSA-N
XLogP2.01
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[3-(2-methylpropoxy)propyl]-1H-imidazole 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 5-[3-(2-methylpropoxy)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(2-methylpropoxy)propyl]-1H-imidazole (CID 10821309) is 5-[3-(2-methylpropoxy)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(2-methylpropoxy)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(2-methylpropoxy)propyl]-1H-imidazole is CC(C)COCCCc1cnc[nH]1.
What is the InChIKey of 5-[3-(2-methylpropoxy)propyl]-1H-imidazole?
The InChIKey is UGCARVZTSWHUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-9(2)7-13-5-3-4-10-6-11-8-12-10/h6,8-9H,3-5,7H2,1-2H3,(H,11,12).
What are the key properties of 5-[3-(2-methylpropoxy)propyl]-1H-imidazole?
5-[3-(2-methylpropoxy)propyl]-1H-imidazole has a molecular weight of 182.27 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpropoxy)propyl]-1H-imidazole is sourced from PubChem (CID 10821309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).