N-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine

C16H17Br2N5 — CID 10365896

IUPACN-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
SMILESBrc1cc(Br)cc(CNCCCNc2nc3ncccc3[nH]2)c1
InChIInChI=1S/C16H17Br2N5/c17-12-7-11(8-13(18)9-12)10-19-4-2-6-21-16-22-14-3-1-5-20-15(14)23-16/h1,3,5,7-9,19H,2,4,6,10H2,(H2,20,21,22,23)
InChIKeyOATZFWWSGWAIMX-UHFFFAOYSA-N
MW439.16 g/mol
LogP4.07
Rot. Bonds7

About N-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine

N-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (PubChem CID 10365896) has the molecular formula C16H17Br2N5 and a molecular weight of 439.16 g/mol. Its IUPAC name is N-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
PubChem CID10365896
Molecular FormulaC16H17Br2N5
Molecular Weight439.16 g/mol
Exact Mass436.99
IUPAC NameN-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
SMILESBrc1cc(Br)cc(CNCCCNc2nc3ncccc3[nH]2)c1
InChIInChI=1S/C16H17Br2N5/c17-12-7-11(8-13(18)9-12)10-19-4-2-6-21-16-22-14-3-1-5-20-15(14)23-16/h1,3,5,7-9,19H,2,4,6,10H2,(H2,20,21,22,23)
InChIKeyOATZFWWSGWAIMX-UHFFFAOYSA-N
XLogP4.07
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.16
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine?
The IUPAC name of N-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine (CID 10365896) is N-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine?
The canonical SMILES for N-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine is Brc1cc(Br)cc(CNCCCNc2nc3ncccc3[nH]2)c1.
What is the InChIKey of N-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine?
The InChIKey is OATZFWWSGWAIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N5/c17-12-7-11(8-13(18)9-12)10-19-4-2-6-21-16-22-14-3-1-5-20-15(14)23-16/h1,3,5,7-9,19H,2,4,6,10H2,(H2,20,21,22,23).
What are the key properties of N-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine?
N-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine has a molecular weight of 439.16 g/mol, XLogP of 4.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromophenyl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 10365896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).