2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine

C13H17BrN4 — CID 107444003

IUPAC2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1cncn1-c1ccc(Br)cn1
InChIInChI=1S/C13H17BrN4/c1-9(2)11(5-15)12-7-16-8-18(12)13-4-3-10(14)6-17-13/h3-4,6-9,11H,5,15H2,1-2H3
InChIKeyGDTOVHQLYMNMOR-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.73
Rot. Bonds4

About 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine

2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 107444003) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID107444003
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1cncn1-c1ccc(Br)cn1
InChIInChI=1S/C13H17BrN4/c1-9(2)11(5-15)12-7-16-8-18(12)13-4-3-10(14)6-17-13/h3-4,6-9,11H,5,15H2,1-2H3
InChIKeyGDTOVHQLYMNMOR-UHFFFAOYSA-N
XLogP2.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(5-fluoro-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444228
(1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine
CID 104942155
2-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444285
2-[3-(3-bromo-4-chlorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444265
2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine
CID 114703974
3-methyl-2-[3-(3-propan-2-ylphenyl)imidazol-4-yl]butan-1-amine
CID 107444011
2-[3-[2-(difluoromethylsulfanyl)phenyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443932
2-[3-(3-chloro-4-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444004
2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine
CID 107443976
2-[3-(3-chloro-4-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107443926
2-[3-(2-chloro-5-methoxyphenyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444056
(1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine
CID 104943472

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine (CID 107444003) is 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine is CC(C)C(CN)c1cncn1-c1ccc(Br)cn1.
What is the InChIKey of 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is GDTOVHQLYMNMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-9(2)11(5-15)12-7-16-8-18(12)13-4-3-10(14)6-17-13/h3-4,6-9,11H,5,15H2,1-2H3.
What are the key properties of 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine?
2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 309.21 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 107444003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).