1-[3-(3,4-dimethylphenoxy)propyl]imidazole

C14H18N2O — CID 2843780

IUPAC1-[3-(3,4-dimethylphenoxy)propyl]imidazole
SMILESCc1ccc(OCCCn2ccnc2)cc1C
InChIInChI=1S/C14H18N2O/c1-12-4-5-14(10-13(12)2)17-9-3-7-16-8-6-15-11-16/h4-6,8,10-11H,3,7,9H2,1-2H3
InChIKeyBVJQFSKSXFEDIP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.97
Rot. Bonds5

About 1-[3-(3,4-dimethylphenoxy)propyl]imidazole

1-[3-(3,4-dimethylphenoxy)propyl]imidazole (PubChem CID 2843780) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylphenoxy)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(3,4-dimethylphenoxy)propyl]imidazole
PubChem CID2843780
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[3-(3,4-dimethylphenoxy)propyl]imidazole
SMILESCc1ccc(OCCCn2ccnc2)cc1C
InChIInChI=1S/C14H18N2O/c1-12-4-5-14(10-13(12)2)17-9-3-7-16-8-6-15-11-16/h4-6,8,10-11H,3,7,9H2,1-2H3
InChIKeyBVJQFSKSXFEDIP-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylphenoxy)propyl]imidazole?
The IUPAC name of 1-[3-(3,4-dimethylphenoxy)propyl]imidazole (CID 2843780) is 1-[3-(3,4-dimethylphenoxy)propyl]imidazole.
What is the SMILES notation for 1-[3-(3,4-dimethylphenoxy)propyl]imidazole?
The canonical SMILES for 1-[3-(3,4-dimethylphenoxy)propyl]imidazole is Cc1ccc(OCCCn2ccnc2)cc1C.
What is the InChIKey of 1-[3-(3,4-dimethylphenoxy)propyl]imidazole?
The InChIKey is BVJQFSKSXFEDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-12-4-5-14(10-13(12)2)17-9-3-7-16-8-6-15-11-16/h4-6,8,10-11H,3,7,9H2,1-2H3.
What are the key properties of 1-[3-(3,4-dimethylphenoxy)propyl]imidazole?
1-[3-(3,4-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-(3,4-dimethylphenoxy)propyl]imidazole is sourced from PubChem (CID 2843780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).