1-[4-(3-methylphenoxy)butyl]imidazole

C14H18N2O — CID 2841395

IUPAC1-[4-(3-methylphenoxy)butyl]imidazole
SMILESCc1cccc(OCCCCn2ccnc2)c1
InChIInChI=1S/C14H18N2O/c1-13-5-4-6-14(11-13)17-10-3-2-8-16-9-7-15-12-16/h4-7,9,11-12H,2-3,8,10H2,1H3
InChIKeyICKOPAHXIDVWQX-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.05
Rot. Bonds6

About 1-[4-(3-methylphenoxy)butyl]imidazole

1-[4-(3-methylphenoxy)butyl]imidazole (PubChem CID 2841395) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[4-(3-methylphenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(3-methylphenoxy)butyl]imidazole
PubChem CID2841395
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[4-(3-methylphenoxy)butyl]imidazole
SMILESCc1cccc(OCCCCn2ccnc2)c1
InChIInChI=1S/C14H18N2O/c1-13-5-4-6-14(11-13)17-10-3-2-8-16-9-7-15-12-16/h4-7,9,11-12H,2-3,8,10H2,1H3
InChIKeyICKOPAHXIDVWQX-UHFFFAOYSA-N
XLogP3.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.05
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

1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
1-[4-(3-tert-butylphenoxy)butyl]imidazole
CID 2996393
3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
ethyl 3-(3-imidazol-1-ylpropoxy)benzoate
CID 139771562
6-[3-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylhexanoic acid
CID 14327319
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749
N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide
CID 21367526
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494562
1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole
CID 2850907
1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
CID 2851015

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(3-methylphenoxy)butyl]imidazole (CID 2841395) is 1-[4-(3-methylphenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(3-methylphenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(3-methylphenoxy)butyl]imidazole is Cc1cccc(OCCCCn2ccnc2)c1.
What is the InChIKey of 1-[4-(3-methylphenoxy)butyl]imidazole?
The InChIKey is ICKOPAHXIDVWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-13-5-4-6-14(11-13)17-10-3-2-8-16-9-7-15-12-16/h4-7,9,11-12H,2-3,8,10H2,1H3.
What are the key properties of 1-[4-(3-methylphenoxy)butyl]imidazole?
1-[4-(3-methylphenoxy)butyl]imidazole has a molecular weight of 230.31 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenoxy)butyl]imidazole is sourced from PubChem (CID 2841395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).