2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine

C13H15BrClN3 — CID 84608558

IUPAC2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(Br)c(-c2ccc(Cl)cc2)n1C
InChIInChI=1S/C13H15BrClN3/c1-16-8-7-11-17-13(14)12(18(11)2)9-3-5-10(15)6-4-9/h3-6,16H,7-8H2,1-2H3
InChIKeySUZHFAGMQLNUBB-UHFFFAOYSA-N
MW328.64 g/mol
LogP3.26
Rot. Bonds4

About 2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine

2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine (PubChem CID 84608558) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is 2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine
PubChem CID84608558
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC Name2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine
SMILESCNCCc1nc(Br)c(-c2ccc(Cl)cc2)n1C
InChIInChI=1S/C13H15BrClN3/c1-16-8-7-11-17-13(14)12(18(11)2)9-3-5-10(15)6-4-9/h3-6,16H,7-8H2,1-2H3
InChIKeySUZHFAGMQLNUBB-UHFFFAOYSA-N
XLogP3.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine
CID 84605029
2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol
CID 84609648
2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]-N-methylethanamine
CID 84610127
3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine
CID 117253851
1-[4-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1-methylimidazol-2-yl]-N-methylmethanamine
CID 84604787
3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-1-amine
CID 115079419
2-[4-(1,3-benzoxazol-6-yl)-5-bromo-1-methylimidazol-2-yl]-N-methylethanamine
CID 84610372
N-methyl-2-(1,6,7-trimethylbenzimidazol-2-yl)ethanamine
CID 84622679
2-(7-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine
CID 84743721
2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine
CID 84610828
2-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 82879699
2-(4-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine (CID 84608558) is 2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine is CNCCc1nc(Br)c(-c2ccc(Cl)cc2)n1C.
What is the InChIKey of 2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine?
The InChIKey is SUZHFAGMQLNUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c1-16-8-7-11-17-13(14)12(18(11)2)9-3-5-10(15)6-4-9/h3-6,16H,7-8H2,1-2H3.
What are the key properties of 2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine?
2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine has a molecular weight of 328.64 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 84608558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).