1-[1-(4-methylphenyl)butyl]imidazole

C14H18N2 — CID 90765635

IUPAC1-[1-(4-methylphenyl)butyl]imidazole
SMILESCCCC(c1ccc(C)cc1)n1ccnc1
InChIInChI=1S/C14H18N2/c1-3-4-14(16-10-9-15-11-16)13-7-5-12(2)6-8-13/h5-11,14H,3-4H2,1-2H3
InChIKeyYVQJSZSDZPNQAD-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.58
Rot. Bonds4

About 1-[1-(4-methylphenyl)butyl]imidazole

1-[1-(4-methylphenyl)butyl]imidazole (PubChem CID 90765635) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)butyl]imidazole.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)butyl]imidazole
PubChem CID90765635
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-[1-(4-methylphenyl)butyl]imidazole
SMILESCCCC(c1ccc(C)cc1)n1ccnc1
InChIInChI=1S/C14H18N2/c1-3-4-14(16-10-9-15-11-16)13-7-5-12(2)6-8-13/h5-11,14H,3-4H2,1-2H3
InChIKeyYVQJSZSDZPNQAD-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-methylphenyl)butyl]imidazole 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-(1-imidazol-1-ylbutyl)benzonitrile
CID 14514362
1-[1-(4-pentylphenyl)butyl]imidazole
CID 91168705
1-[1-[4-(methoxymethyl)phenyl]butyl]imidazole
CID 14514379
1-[1-[4-(butoxymethyl)phenyl]butyl]imidazole
CID 14514380
1-[1-[4-(phenoxymethyl)phenyl]butyl]imidazole
CID 14514381
propan-2-yl 4-(1-imidazol-1-ylbutyl)benzoate
CID 54557825
1-[4-(1-imidazol-1-ylbutyl)phenyl]-2-propylhexadecan-1-one
CID 142779092
6-(1-imidazol-1-ylbutyl)-2,3-dihydroinden-1-one
CID 14850679
4-[4-(1-imidazol-1-ylpropyl)phenyl]-2-methylphenol
CID 42642929
[6-(1-imidazol-1-ylbutyl)-1H-benzimidazol-2-yl]carbamic acid
CID 21241849
4-(3-hydroxy-1-imidazol-1-ylpropyl)benzonitrile
CID 18779690
1-(1-methoxybutyl)imidazole
CID 118061867

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)butyl]imidazole?
The IUPAC name of 1-[1-(4-methylphenyl)butyl]imidazole (CID 90765635) is 1-[1-(4-methylphenyl)butyl]imidazole.
What is the SMILES notation for 1-[1-(4-methylphenyl)butyl]imidazole?
The canonical SMILES for 1-[1-(4-methylphenyl)butyl]imidazole is CCCC(c1ccc(C)cc1)n1ccnc1.
What is the InChIKey of 1-[1-(4-methylphenyl)butyl]imidazole?
The InChIKey is YVQJSZSDZPNQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-4-14(16-10-9-15-11-16)13-7-5-12(2)6-8-13/h5-11,14H,3-4H2,1-2H3.
What are the key properties of 1-[1-(4-methylphenyl)butyl]imidazole?
1-[1-(4-methylphenyl)butyl]imidazole has a molecular weight of 214.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)butyl]imidazole is sourced from PubChem (CID 90765635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).