2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium

C32H30Br2N4+2 — CID 15588596

IUPAC2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium
SMILESBrc1ccc(-c2c[n+]3ccccc3n2CCCCCCn2c(-c3ccc(Br)cc3)c[n+]3ccccc23)cc1
InChIInChI=1S/C32H30Br2N4/c33-27-15-11-25(12-16-27)29-23-35-19-7-3-9-31(35)37(29)21-5-1-2-6-22-38-30(26-13-17-28(34)18-14-26)24-36-20-8-4-10-32(36)38/h3-4,7-20,23-24H,1-2,5-6,21-22H2/q+2
InChIKeyKTJMFFLUINLVDM-UHFFFAOYSA-N
MW630.43 g/mol
LogP7.89
Rot. Bonds9

About 2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium

2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium (PubChem CID 15588596) has the molecular formula C32H30Br2N4+2 and a molecular weight of 630.43 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium
PubChem CID15588596
Molecular FormulaC32H30Br2N4+2
Molecular Weight630.43 g/mol
Exact Mass628.08
IUPAC Name2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium
SMILESBrc1ccc(-c2c[n+]3ccccc3n2CCCCCCn2c(-c3ccc(Br)cc3)c[n+]3ccccc23)cc1
InChIInChI=1S/C32H30Br2N4/c33-27-15-11-25(12-16-27)29-23-35-19-7-3-9-31(35)37(29)21-5-1-2-6-22-38-30(26-13-17-28(34)18-14-26)24-36-20-8-4-10-32(36)38/h3-4,7-20,23-24H,1-2,5-6,21-22H2/q+2
InChIKeyKTJMFFLUINLVDM-UHFFFAOYSA-N
XLogP7.89
TPSA18.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.43
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium (CID 15588596) is 2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium is Brc1ccc(-c2c[n+]3ccccc3n2CCCCCCn2c(-c3ccc(Br)cc3)c[n+]3ccccc23)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium?
The InChIKey is KTJMFFLUINLVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Br2N4/c33-27-15-11-25(12-16-27)29-23-35-19-7-3-9-31(35)37(29)21-5-1-2-6-22-38-30(26-13-17-28(34)18-14-26)24-36-20-8-4-10-32(36)38/h3-4,7-20,23-24H,1-2,5-6,21-22H2/q+2.
What are the key properties of 2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium?
2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium has a molecular weight of 630.43 g/mol, XLogP of 7.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[6-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 15588596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).