2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine

C15H15BrN4 — CID 79822052

IUPAC2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(Cc3cccc(Br)c3)nc2n1
InChIInChI=1S/C15H15BrN4/c1-20(2)14-7-6-12-15(19-14)18-13(17-12)9-10-4-3-5-11(16)8-10/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyITWHWXZTOKDXAD-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.38
Rot. Bonds3

About 2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine

2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79822052) has the molecular formula C15H15BrN4 and a molecular weight of 331.22 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79822052
Molecular FormulaC15H15BrN4
Molecular Weight331.22 g/mol
Exact Mass330.05
IUPAC Name2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCN(C)c1ccc2[nH]c(Cc3cccc(Br)c3)nc2n1
InChIInChI=1S/C15H15BrN4/c1-20(2)14-7-6-12-15(19-14)18-13(17-12)9-10-4-3-5-11(16)8-10/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyITWHWXZTOKDXAD-UHFFFAOYSA-N
XLogP3.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79822052) is 2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine is CN(C)c1ccc2[nH]c(Cc3cccc(Br)c3)nc2n1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is ITWHWXZTOKDXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4/c1-20(2)14-7-6-12-15(19-14)18-13(17-12)9-10-4-3-5-11(16)8-10/h3-8H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 331.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-N,N-dimethyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79822052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).