5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine

C12H14BrClN4 — CID 133452816

IUPAC5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine
SMILESCc1nc(N(C)Cc2ncc(Cl)n2C)ccc1Br
InChIInChI=1S/C12H14BrClN4/c1-8-9(13)4-5-11(16-8)17(2)7-12-15-6-10(14)18(12)3/h4-6H,7H2,1-3H3
InChIKeyFTZUSUQBLCNYQY-UHFFFAOYSA-N
MW329.63 g/mol
LogP3.18
Rot. Bonds3

About 5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine

5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine (PubChem CID 133452816) has the molecular formula C12H14BrClN4 and a molecular weight of 329.63 g/mol. Its IUPAC name is 5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine
PubChem CID133452816
Molecular FormulaC12H14BrClN4
Molecular Weight329.63 g/mol
Exact Mass328.01
IUPAC Name5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine
SMILESCc1nc(N(C)Cc2ncc(Cl)n2C)ccc1Br
InChIInChI=1S/C12H14BrClN4/c1-8-9(13)4-5-11(16-8)17(2)7-12-15-6-10(14)18(12)3/h4-6H,7H2,1-3H3
InChIKeyFTZUSUQBLCNYQY-UHFFFAOYSA-N
XLogP3.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.63
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine (CID 133452816) is 5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine is Cc1nc(N(C)Cc2ncc(Cl)n2C)ccc1Br.
What is the InChIKey of 5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine?
The InChIKey is FTZUSUQBLCNYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4/c1-8-9(13)4-5-11(16-8)17(2)7-12-15-6-10(14)18(12)3/h4-6H,7H2,1-3H3.
What are the key properties of 5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine?
5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine has a molecular weight of 329.63 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine is sourced from PubChem (CID 133452816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).