N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine

C13H17BrN4 — CID 113398748

IUPACN-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(-c2ccc(Br)cn2)[nH]1
InChIInChI=1S/C13H17BrN4/c1-13(2,3)17-8-10-7-16-12(18-10)11-5-4-9(14)6-15-11/h4-7,17H,8H2,1-3H3,(H,16,18)
InChIKeyPIVJCIVXDUFHEY-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.12
Rot. Bonds3

About N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 113398748) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID113398748
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC NameN-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(-c2ccc(Br)cn2)[nH]1
InChIInChI=1S/C13H17BrN4/c1-13(2,3)17-8-10-7-16-12(18-10)11-5-4-9(14)6-15-11/h4-7,17H,8H2,1-3H3,(H,16,18)
InChIKeyPIVJCIVXDUFHEY-UHFFFAOYSA-N
XLogP3.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 113398749
N-[[2-(3-bromo-4-fluorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 82802315
N-[[2-(3,5-dichlorophenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107918177
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 62743796
N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109316
methyl 2-(5-bromo-2-pyridinyl)-1H-imidazole-5-carboxylate
CID 91048260
2-methyl-N-[[2-(methylsulfanylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109029
2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109067
N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62112031
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
N-[[2-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 55176708
3-(5-bromo-2-pyridinyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136715502

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine (CID 113398748) is N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(-c2ccc(Br)cn2)[nH]1.
What is the InChIKey of N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is PIVJCIVXDUFHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-13(2,3)17-8-10-7-16-12(18-10)11-5-4-9(14)6-15-11/h4-7,17H,8H2,1-3H3,(H,16,18).
What are the key properties of N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 309.21 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 113398748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).