1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide

C19H18Br2N2 — CID 15885882

IUPAC1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide
SMILESBrc1ccc(-n2cc(-c3ccccc3)[n+]3c2CCCC3)cc1.[Br-]
InChIInChI=1S/C19H18BrN2.BrH/c20-16-9-11-17(12-10-16)22-14-18(15-6-2-1-3-7-15)21-13-5-4-8-19(21)22;/h1-3,6-7,9-12,14H,4-5,8,13H2;1H/q+1;/p-1
InChIKeyYAPNWJDBNGFVLM-UHFFFAOYSA-M
MW434.18 g/mol
LogP1.53
Rot. Bonds2

About 1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide

1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide (PubChem CID 15885882) has the molecular formula C19H18Br2N2 and a molecular weight of 434.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide
PubChem CID15885882
Molecular FormulaC19H18Br2N2
Molecular Weight434.18 g/mol
Exact Mass431.98
IUPAC Name1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide
SMILESBrc1ccc(-n2cc(-c3ccccc3)[n+]3c2CCCC3)cc1.[Br-]
InChIInChI=1S/C19H18BrN2.BrH/c20-16-9-11-17(12-10-16)22-14-18(15-6-2-1-3-7-15)21-13-5-4-8-19(21)22;/h1-3,6-7,9-12,14H,4-5,8,13H2;1H/q+1;/p-1
InChIKeyYAPNWJDBNGFVLM-UHFFFAOYSA-M
XLogP1.53
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.18
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide?
The IUPAC name of 1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide (CID 15885882) is 1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide.
What is the SMILES notation for 1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide?
The canonical SMILES for 1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide is Brc1ccc(-n2cc(-c3ccccc3)[n+]3c2CCCC3)cc1.[Br-].
What is the InChIKey of 1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide?
The InChIKey is YAPNWJDBNGFVLM-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18BrN2.BrH/c20-16-9-11-17(12-10-16)22-14-18(15-6-2-1-3-7-15)21-13-5-4-8-19(21)22;/h1-3,6-7,9-12,14H,4-5,8,13H2;1H/q+1;/p-1.
What are the key properties of 1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide?
1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide has a molecular weight of 434.18 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide is sourced from PubChem (CID 15885882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).