1-(4-butoxyphenyl)-2-methylimidazole

C14H18N2O — CID 11148936

IUPAC1-(4-butoxyphenyl)-2-methylimidazole
SMILESCCCCOc1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C14H18N2O/c1-3-4-11-17-14-7-5-13(6-8-14)16-10-9-15-12(16)2/h5-10H,3-4,11H2,1-2H3
InChIKeyDIVNKPFJAVQFJM-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-butoxyphenyl)-2-methylimidazole

1-(4-butoxyphenyl)-2-methylimidazole (PubChem CID 11148936) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-2-methylimidazole.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-2-methylimidazole
PubChem CID11148936
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(4-butoxyphenyl)-2-methylimidazole
SMILESCCCCOc1ccc(-n2ccnc2C)cc1
InChIInChI=1S/C14H18N2O/c1-3-4-11-17-14-7-5-13(6-8-14)16-10-9-15-12(16)2/h5-10H,3-4,11H2,1-2H3
InChIKeyDIVNKPFJAVQFJM-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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

N-methyl-1-(4-propoxyphenyl)imidazol-2-amine
CID 106569632
O-[[4-(2-methylimidazol-1-yl)phenyl]methyl]hydroxylamine
CID 117291724
2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 63817285
1-(4-hexoxyphenyl)pyrazole
CID 67650161
1-(4-ethenylphenyl)-2-methylimidazole
CID 167585504
1,4-dipentoxybenzene
CID 18314717
(4-butoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121073791
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]ethanol
CID 78941239
[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122338798
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-(2-butoxyethyl)-2-methylimidazole
CID 63810504

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-2-methylimidazole?
The IUPAC name of 1-(4-butoxyphenyl)-2-methylimidazole (CID 11148936) is 1-(4-butoxyphenyl)-2-methylimidazole.
What is the SMILES notation for 1-(4-butoxyphenyl)-2-methylimidazole?
The canonical SMILES for 1-(4-butoxyphenyl)-2-methylimidazole is CCCCOc1ccc(-n2ccnc2C)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-2-methylimidazole?
The InChIKey is DIVNKPFJAVQFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-4-11-17-14-7-5-13(6-8-14)16-10-9-15-12(16)2/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 1-(4-butoxyphenyl)-2-methylimidazole?
1-(4-butoxyphenyl)-2-methylimidazole has a molecular weight of 230.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-2-methylimidazole is sourced from PubChem (CID 11148936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).