3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride

C8H9Br2ClN4 — CID 44523004

IUPAC3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride
SMILESBrc1cnc(NC2=NCCN2)c(Br)c1.Cl
InChIInChI=1S/C8H8Br2N4.ClH/c9-5-3-6(10)7(13-4-5)14-8-11-1-2-12-8;/h3-4H,1-2H2,(H2,11,12,13,14);1H
InChIKeyNFPQNZPUZUNUNP-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.40
Rot. Bonds1

About 3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride

3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride (PubChem CID 44523004) has the molecular formula C8H9Br2ClN4 and a molecular weight of 356.45 g/mol. Its IUPAC name is 3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride
PubChem CID44523004
Molecular FormulaC8H9Br2ClN4
Molecular Weight356.45 g/mol
Exact Mass353.89
IUPAC Name3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride
SMILESBrc1cnc(NC2=NCCN2)c(Br)c1.Cl
InChIInChI=1S/C8H8Br2N4.ClH/c9-5-3-6(10)7(13-4-5)14-8-11-1-2-12-8;/h3-4H,1-2H2,(H2,11,12,13,14);1H
InChIKeyNFPQNZPUZUNUNP-UHFFFAOYSA-N
XLogP2.40
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride?
The IUPAC name of 3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride (CID 44523004) is 3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for 3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride?
The canonical SMILES for 3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride is Brc1cnc(NC2=NCCN2)c(Br)c1.Cl.
What is the InChIKey of 3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride?
The InChIKey is NFPQNZPUZUNUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2N4.ClH/c9-5-3-6(10)7(13-4-5)14-8-11-1-2-12-8;/h3-4H,1-2H2,(H2,11,12,13,14);1H.
What are the key properties of 3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride?
3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride has a molecular weight of 356.45 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(4,5-dihydro-1H-imidazol-2-yl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 44523004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).