1-[3-(3,5-dimethylphenoxy)propyl]imidazole

C14H18N2O — CID 3810014

IUPAC1-[3-(3,5-dimethylphenoxy)propyl]imidazole
SMILESCc1cc(C)cc(OCCCn2ccnc2)c1
InChIInChI=1S/C14H18N2O/c1-12-8-13(2)10-14(9-12)17-7-3-5-16-6-4-15-11-16/h4,6,8-11H,3,5,7H2,1-2H3
InChIKeyWXRZRIJFWCONEW-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.97
Rot. Bonds5

About 1-[3-(3,5-dimethylphenoxy)propyl]imidazole

1-[3-(3,5-dimethylphenoxy)propyl]imidazole (PubChem CID 3810014) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylphenoxy)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(3,5-dimethylphenoxy)propyl]imidazole
PubChem CID3810014
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[3-(3,5-dimethylphenoxy)propyl]imidazole
SMILESCc1cc(C)cc(OCCCn2ccnc2)c1
InChIInChI=1S/C14H18N2O/c1-12-8-13(2)10-14(9-12)17-7-3-5-16-6-4-15-11-16/h4,6,8-11H,3,5,7H2,1-2H3
InChIKeyWXRZRIJFWCONEW-UHFFFAOYSA-N
XLogP2.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Neticonazole
CID 5282433
1-(6-Methoxy-3,4-dihydronaphthalen-2-yl)-1H-imidazole
CID 3021561
1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-(2-phenoxybenzyl)-1H-imidazole
CID 46889432
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
1-[2-(4-methoxyphenoxy)ethyl]-1H-imidazole
CID 868397
1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814
1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
CID 2852313
Imidazole, 1-[2-(2,4,6-trimethylphenoxy)ethyl]-
CID 565898
1-Imidazol-1-yl-3-(4-octylphenoxy)propan-2-one
CID 46230393
1-[3-(4-methylphenoxy)propyl]-1H-imidazole
CID 2841348

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylphenoxy)propyl]imidazole?
The IUPAC name of 1-[3-(3,5-dimethylphenoxy)propyl]imidazole (CID 3810014) is 1-[3-(3,5-dimethylphenoxy)propyl]imidazole.
What is the SMILES notation for 1-[3-(3,5-dimethylphenoxy)propyl]imidazole?
The canonical SMILES for 1-[3-(3,5-dimethylphenoxy)propyl]imidazole is Cc1cc(C)cc(OCCCn2ccnc2)c1.
What is the InChIKey of 1-[3-(3,5-dimethylphenoxy)propyl]imidazole?
The InChIKey is WXRZRIJFWCONEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-12-8-13(2)10-14(9-12)17-7-3-5-16-6-4-15-11-16/h4,6,8-11H,3,5,7H2,1-2H3.
What are the key properties of 1-[3-(3,5-dimethylphenoxy)propyl]imidazole?
1-[3-(3,5-dimethylphenoxy)propyl]imidazole has a molecular weight of 230.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylphenoxy)propyl]imidazole is sourced from PubChem (CID 3810014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).