2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine

C19H28FN3 — CID 123462970

IUPAC2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine
SMILESCCC(CC)c1nc(-c2ccc(F)c(C)c2)cn1CCN(C)C
InChIInChI=1S/C19H28FN3/c1-6-15(7-2)19-21-18(13-23(19)11-10-22(4)5)16-8-9-17(20)14(3)12-16/h8-9,12-13,15H,6-7,10-11H2,1-5H3
InChIKeyBZXJBIJOHXROTK-UHFFFAOYSA-N
MW317.45 g/mol
LogP4.46
Rot. Bonds7

About 2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine

2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 123462970) has the molecular formula C19H28FN3 and a molecular weight of 317.45 g/mol. Its IUPAC name is 2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine
PubChem CID123462970
Molecular FormulaC19H28FN3
Molecular Weight317.45 g/mol
Exact Mass317.23
IUPAC Name2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine
SMILESCCC(CC)c1nc(-c2ccc(F)c(C)c2)cn1CCN(C)C
InChIInChI=1S/C19H28FN3/c1-6-15(7-2)19-21-18(13-23(19)11-10-22(4)5)16-8-9-17(20)14(3)12-16/h8-9,12-13,15H,6-7,10-11H2,1-5H3
InChIKeyBZXJBIJOHXROTK-UHFFFAOYSA-N
XLogP4.46
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine (CID 123462970) is 2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine is CCC(CC)c1nc(-c2ccc(F)c(C)c2)cn1CCN(C)C.
What is the InChIKey of 2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is BZXJBIJOHXROTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3/c1-6-15(7-2)19-21-18(13-23(19)11-10-22(4)5)16-8-9-17(20)14(3)12-16/h8-9,12-13,15H,6-7,10-11H2,1-5H3.
What are the key properties of 2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine?
2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 317.45 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluoro-3-methylphenyl)-2-pentan-3-ylimidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 123462970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).