5-(3-phenylmethoxypropyl)-1H-imidazole

C13H16N2O — CID 6421522

IUPAC5-(3-phenylmethoxypropyl)-1H-imidazole
SMILESc1ccc(COCCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
InChIKeyWNWALBVQAAIULR-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.56
Rot. Bonds6

About 5-(3-phenylmethoxypropyl)-1H-imidazole

5-(3-phenylmethoxypropyl)-1H-imidazole (PubChem CID 6421522) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-(3-phenylmethoxypropyl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-phenylmethoxypropyl)-1H-imidazole
PubChem CID6421522
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-(3-phenylmethoxypropyl)-1H-imidazole
SMILESc1ccc(COCCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15)
InChIKeyWNWALBVQAAIULR-UHFFFAOYSA-N
XLogP2.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.56
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 5-(3-phenylmethoxypropyl)-1H-imidazole?
The IUPAC name of 5-(3-phenylmethoxypropyl)-1H-imidazole (CID 6421522) is 5-(3-phenylmethoxypropyl)-1H-imidazole.
What is the SMILES notation for 5-(3-phenylmethoxypropyl)-1H-imidazole?
The canonical SMILES for 5-(3-phenylmethoxypropyl)-1H-imidazole is c1ccc(COCCCc2cnc[nH]2)cc1.
What is the InChIKey of 5-(3-phenylmethoxypropyl)-1H-imidazole?
The InChIKey is WNWALBVQAAIULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-5-12(6-3-1)10-16-8-4-7-13-9-14-11-15-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,14,15).
What are the key properties of 5-(3-phenylmethoxypropyl)-1H-imidazole?
5-(3-phenylmethoxypropyl)-1H-imidazole has a molecular weight of 216.28 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylmethoxypropyl)-1H-imidazole is sourced from PubChem (CID 6421522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).