1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine

C13H15BrClN3 — CID 84608560

IUPAC1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cc(Br)ccc2C)c(Cl)n1C
InChIInChI=1S/C13H15BrClN3/c1-8-4-5-9(14)6-10(8)12-13(15)18(3)11(17-12)7-16-2/h4-6,16H,7H2,1-3H3
InChIKeyJVAGTPCMKWIZTA-UHFFFAOYSA-N
MW328.64 g/mol
LogP3.53
Rot. Bonds3

About 1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine

1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine (PubChem CID 84608560) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is 1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine
PubChem CID84608560
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC Name1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cc(Br)ccc2C)c(Cl)n1C
InChIInChI=1S/C13H15BrClN3/c1-8-4-5-9(14)6-10(8)12-13(15)18(3)11(17-12)7-16-2/h4-6,16H,7H2,1-3H3
InChIKeyJVAGTPCMKWIZTA-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine (CID 84608560) is 1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine is CNCc1nc(-c2cc(Br)ccc2C)c(Cl)n1C.
What is the InChIKey of 1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine?
The InChIKey is JVAGTPCMKWIZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c1-8-4-5-9(14)6-10(8)12-13(15)18(3)11(17-12)7-16-2/h4-6,16H,7H2,1-3H3.
What are the key properties of 1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine?
1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine has a molecular weight of 328.64 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-2-methylphenyl)-5-chloro-1-methylimidazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 84608560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).