N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine

C10H12Br2N4 — CID 122097052

IUPACN-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1c(Br)cncc1Br
InChIInChI=1S/C10H12Br2N4/c1-16-3-2-14-10(16)15-4-7-8(11)5-13-6-9(7)12/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeyHREOLWPEJZDIQE-UHFFFAOYSA-N
MW348.04 g/mol
LogP2.00
Rot. Bonds2

About N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 122097052) has the molecular formula C10H12Br2N4 and a molecular weight of 348.04 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID122097052
Molecular FormulaC10H12Br2N4
Molecular Weight348.04 g/mol
Exact Mass345.94
IUPAC NameN-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1c(Br)cncc1Br
InChIInChI=1S/C10H12Br2N4/c1-16-3-2-14-10(16)15-4-7-8(11)5-13-6-9(7)12/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeyHREOLWPEJZDIQE-UHFFFAOYSA-N
XLogP2.00
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 122097052) is N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCc1c(Br)cncc1Br.
What is the InChIKey of N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is HREOLWPEJZDIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N4/c1-16-3-2-14-10(16)15-4-7-8(11)5-13-6-9(7)12/h5-6H,2-4H2,1H3,(H,14,15).
What are the key properties of N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 348.04 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 122097052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).