2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine

C13H16BrN3 — CID 82562220

IUPAC2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccnc1-c1ccccc1Br
InChIInChI=1S/C13H16BrN3/c1-16(2)9-10-17-8-7-15-13(17)11-5-3-4-6-12(11)14/h3-8H,9-10H2,1-2H3
InChIKeyUASLUCGUJTZFFR-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.87
Rot. Bonds4

About 2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine

2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 82562220) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine
PubChem CID82562220
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccnc1-c1ccccc1Br
InChIInChI=1S/C13H16BrN3/c1-16(2)9-10-17-8-7-15-13(17)11-5-3-4-6-12(11)14/h3-8H,9-10H2,1-2H3
InChIKeyUASLUCGUJTZFFR-UHFFFAOYSA-N
XLogP2.87
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate
CID 82561325
2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline
CID 82559693
2-[5-(2-bromophenyl)furan-2-yl]-1-ethylimidazole
CID 14798611
N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 62564926
N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
CID 82559432
N-[[2-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 63974370
1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780
2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole
CID 82562245
2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 56745738
2-[2-[5-(5-ethylpyrimidin-2-yl)furan-2-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 166620898
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024
3-[2-(2-fluorophenyl)imidazol-1-yl]propan-1-amine
CID 82559058

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine (CID 82562220) is 2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ccnc1-c1ccccc1Br.
What is the InChIKey of 2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is UASLUCGUJTZFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-16(2)9-10-17-8-7-15-13(17)11-5-3-4-6-12(11)14/h3-8H,9-10H2,1-2H3.
What are the key properties of 2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine?
2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 294.20 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 82562220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).