3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine

C14H17BrClN3 — CID 82562393

IUPAC3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1ccnc1-c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H17BrClN3/c1-18(2)5-3-6-19-7-4-17-14(19)11-8-12(15)10-13(16)9-11/h4,7-10H,3,5-6H2,1-2H3
InChIKeyLUJLOROGVMRXCW-UHFFFAOYSA-N
MW342.67 g/mol
LogP3.92
Rot. Bonds5

About 3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine

3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 82562393) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID82562393
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1ccnc1-c1cc(Cl)cc(Br)c1
InChIInChI=1S/C14H17BrClN3/c1-18(2)5-3-6-19-7-4-17-14(19)11-8-12(15)10-13(16)9-11/h4,7-10H,3,5-6H2,1-2H3
InChIKeyLUJLOROGVMRXCW-UHFFFAOYSA-N
XLogP3.92
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]methyl]phenol
CID 82560859
2-[2-(3-bromo-5-fluorophenyl)imidazol-1-yl]ethanamine
CID 82559780
3-(3-bromo-5-chlorophenyl)-8-chloro-[1,2,4]triazolo[4,3-a]pyrazine
CID 114018416
N,N-dimethyl-3-(2-methylsulfonylimidazol-1-yl)propan-1-amine
CID 94685401
2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine
CID 82562220
5-bromo-N-methyl-N-[3-(2-methylimidazol-1-yl)propyl]pyridin-3-amine
CID 133398152
N-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]phenyl]acetamide
CID 82559432
N',N'-dimethyl-N-[2-(2-phenylimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 62564926
3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine
CID 82559619
2-[2-[2-(4-methoxyphenyl)pyrimidin-5-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 56745738
4-[2-(3,4-dichlorophenyl)imidazol-1-yl]butan-1-amine
CID 82559620
3-[2-(3,5-difluorophenyl)imidazol-1-yl]propan-1-amine
CID 82559838

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine (CID 82562393) is 3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCn1ccnc1-c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is LUJLOROGVMRXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-18(2)5-3-6-19-7-4-17-14(19)11-8-12(15)10-13(16)9-11/h4,7-10H,3,5-6H2,1-2H3.
What are the key properties of 3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine?
3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 342.67 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-bromo-5-chlorophenyl)imidazol-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 82562393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).