4-(4-butylphenyl)-1-methylimidazole

C14H18N2 — CID 82078465

IUPAC4-(4-butylphenyl)-1-methylimidazole
SMILESCCCCc1ccc(-c2cn(C)cn2)cc1
InChIInChI=1S/C14H18N2/c1-3-4-5-12-6-8-13(9-7-12)14-10-16(2)11-15-14/h6-11H,3-5H2,1-2H3
InChIKeyNWBGULMLXLXWQZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.43
Rot. Bonds4

About 4-(4-butylphenyl)-1-methylimidazole

4-(4-butylphenyl)-1-methylimidazole (PubChem CID 82078465) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(4-butylphenyl)-1-methylimidazole.

Molecular Properties

Compound Name4-(4-butylphenyl)-1-methylimidazole
PubChem CID82078465
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-(4-butylphenyl)-1-methylimidazole
SMILESCCCCc1ccc(-c2cn(C)cn2)cc1
InChIInChI=1S/C14H18N2/c1-3-4-5-12-6-8-13(9-7-12)14-10-16(2)11-15-14/h6-11H,3-5H2,1-2H3
InChIKeyNWBGULMLXLXWQZ-UHFFFAOYSA-N
XLogP3.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-butylphenyl)-1-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-butylphenyl)-1-(3-chloropropyl)imidazole
CID 10265489
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
[5-(4-butylphenyl)-1-methylpyrazol-3-yl]methanol
CID 93186327
2-[4-(4-butylphenyl)imidazol-1-yl]-N-methyl-4-nitroaniline
CID 118499648
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-[4-(4-butylphenyl)phenyl]pyrimidine
CID 57129115
4-(4-butylphenyl)-2-methylpyridine
CID 154955904
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
(2R)-N-methyl-2-[4-(4-propylphenyl)imidazol-1-yl]propan-1-amine;molecular hydrogen
CID 177010381
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-1-methylimidazole?
The IUPAC name of 4-(4-butylphenyl)-1-methylimidazole (CID 82078465) is 4-(4-butylphenyl)-1-methylimidazole.
What is the SMILES notation for 4-(4-butylphenyl)-1-methylimidazole?
The canonical SMILES for 4-(4-butylphenyl)-1-methylimidazole is CCCCc1ccc(-c2cn(C)cn2)cc1.
What is the InChIKey of 4-(4-butylphenyl)-1-methylimidazole?
The InChIKey is NWBGULMLXLXWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-4-5-12-6-8-13(9-7-12)14-10-16(2)11-15-14/h6-11H,3-5H2,1-2H3.
What are the key properties of 4-(4-butylphenyl)-1-methylimidazole?
4-(4-butylphenyl)-1-methylimidazole has a molecular weight of 214.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-1-methylimidazole is sourced from PubChem (CID 82078465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).