5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole

C18H18N2O — CID 58294086

IUPAC5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole
SMILESc1ccc(CCCOc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C18H18N2O/c1-2-7-15(8-3-1)9-6-12-21-18-11-5-4-10-16(18)17-13-19-14-20-17/h1-5,7-8,10-11,13-14H,6,9,12H2,(H,19,20)
InChIKeyMUOTYDVZHYSDJC-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.09
Rot. Bonds6

About 5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole

5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole (PubChem CID 58294086) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole
PubChem CID58294086
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole
SMILESc1ccc(CCCOc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C18H18N2O/c1-2-7-15(8-3-1)9-6-12-21-18-11-5-4-10-16(18)17-13-19-14-20-17/h1-5,7-8,10-11,13-14H,6,9,12H2,(H,19,20)
InChIKeyMUOTYDVZHYSDJC-UHFFFAOYSA-N
XLogP4.09
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.09
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-[2-(3-phenylpropoxy)phenyl]-1H-imidazole?
The IUPAC name of 5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole (CID 58294086) is 5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole.
What is the SMILES notation for 5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole?
The canonical SMILES for 5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole is c1ccc(CCCOc2ccccc2-c2cnc[nH]2)cc1.
What is the InChIKey of 5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole?
The InChIKey is MUOTYDVZHYSDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-7-15(8-3-1)9-6-12-21-18-11-5-4-10-16(18)17-13-19-14-20-17/h1-5,7-8,10-11,13-14H,6,9,12H2,(H,19,20).
What are the key properties of 5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole?
5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole has a molecular weight of 278.36 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-phenylpropoxy)phenyl]-1H-imidazole is sourced from PubChem (CID 58294086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).