4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline

C18H17BrFN3 — CID 82562114

IUPAC4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nccn2Cc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C18H17BrFN3/c1-22(2)17-5-3-14(4-6-17)18-21-7-8-23(18)12-13-9-15(19)11-16(20)10-13/h3-11H,12H2,1-2H3
InChIKeyRKDCXHFHMZUTQD-UHFFFAOYSA-N
MW374.26 g/mol
LogP4.57
Rot. Bonds4

About 4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline

4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline (PubChem CID 82562114) has the molecular formula C18H17BrFN3 and a molecular weight of 374.26 g/mol. Its IUPAC name is 4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline
PubChem CID82562114
Molecular FormulaC18H17BrFN3
Molecular Weight374.26 g/mol
Exact Mass373.06
IUPAC Name4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nccn2Cc2cc(F)cc(Br)c2)cc1
InChIInChI=1S/C18H17BrFN3/c1-22(2)17-5-3-14(4-6-17)18-21-7-8-23(18)12-13-9-15(19)11-16(20)10-13/h3-11H,12H2,1-2H3
InChIKeyRKDCXHFHMZUTQD-UHFFFAOYSA-N
XLogP4.57
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]aniline
CID 79700240
4-[[2-[4-(dimethylamino)phenyl]imidazol-1-yl]methyl]aniline
CID 82559230
1-[(4-bromophenyl)methyl]-2-(3,4-difluorophenyl)imidazole
CID 82562103
(2R)-1-[2-[4-(dimethylamino)phenyl]imidazol-1-yl]propan-2-ol
CID 155918021
N,N-dimethyl-4-[1-[2-(methylamino)ethyl]imidazol-2-yl]aniline
CID 82559225
4-[1-(4-aminobutyl)imidazol-2-yl]-N,N-dimethylaniline
CID 82559228
N-[[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 79701330
1-[(3-bromo-4-fluorophenyl)methyl]-2-(4-tert-butylphenyl)imidazole
CID 82562137
2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine
CID 82559780
3-[[2-(4-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559674
1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazole
CID 79702175
2-(4-bromophenyl)-1-[(4-methylsulfonylphenyl)methyl]imidazole
CID 82562213

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline (CID 82562114) is 4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nccn2Cc2cc(F)cc(Br)c2)cc1.
What is the InChIKey of 4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline?
The InChIKey is RKDCXHFHMZUTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFN3/c1-22(2)17-5-3-14(4-6-17)18-21-7-8-23(18)12-13-9-15(19)11-16(20)10-13/h3-11H,12H2,1-2H3.
What are the key properties of 4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline?
4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline has a molecular weight of 374.26 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-bromo-5-fluorophenyl)methyl]imidazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 82562114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).