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

C13H17BrN4 — CID 113398749

IUPACN-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(-c2ccc(Br)cn2)[nH]1
InChIInChI=1S/C13H17BrN4/c1-9(2)5-15-7-11-8-17-13(18-11)12-4-3-10(14)6-16-12/h3-4,6,8-9,15H,5,7H2,1-2H3,(H,17,18)
InChIKeyHMKNUTPDOVZMON-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.98
Rot. Bonds5

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

N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 113398749) 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-1-amine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID113398749
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC NameN-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(-c2ccc(Br)cn2)[nH]1
InChIInChI=1S/C13H17BrN4/c1-9(2)5-15-7-11-8-17-13(18-11)12-4-3-10(14)6-16-12/h3-4,6,8-9,15H,5,7H2,1-2H3,(H,17,18)
InChIKeyHMKNUTPDOVZMON-UHFFFAOYSA-N
XLogP2.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.98
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-2-amine
CID 113398748
2-methyl-N-[(2-pyrimidin-2-yl-1H-imidazol-5-yl)methyl]propan-1-amine
CID 63109614
N-[[2-(4-methoxyphenyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63109605
2-methyl-N-[[2-(3-methylbutyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109571
N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109316
2-methyl-N-[[2-(2-phenylethyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109581
3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104810436
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 104796281
N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
CID 66065335
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 55178060
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine (CID 113398749) is N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(-c2ccc(Br)cn2)[nH]1.
What is the InChIKey of N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is HMKNUTPDOVZMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-9(2)5-15-7-11-8-17-13(18-11)12-4-3-10(14)6-16-12/h3-4,6,8-9,15H,5,7H2,1-2H3,(H,17,18).
What are the key properties of N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(5-bromo-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 309.21 g/mol, XLogP of 2.98, 5 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-1-amine is sourced from PubChem (CID 113398749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).