3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol

C19H20BrN2O+ — CID 4146719

IUPAC3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
SMILESOC1(c2ccc(Br)cc2)CN(c2ccccc2)C2=[N+]1CCCC2
InChIInChI=1S/C19H20BrN2O/c20-16-11-9-15(10-12-16)19(23)14-21(17-6-2-1-3-7-17)18-8-4-5-13-22(18)19/h1-3,6-7,9-12,23H,4-5,8,13-14H2/q+1
InChIKeyHHAFHWTVFOUYQC-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.71
Rot. Bonds2

About 3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol

3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol (PubChem CID 4146719) has the molecular formula C19H20BrN2O+ and a molecular weight of 372.29 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
PubChem CID4146719
Molecular FormulaC19H20BrN2O+
Molecular Weight372.29 g/mol
Exact Mass371.08
IUPAC Name3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
SMILESOC1(c2ccc(Br)cc2)CN(c2ccccc2)C2=[N+]1CCCC2
InChIInChI=1S/C19H20BrN2O/c20-16-11-9-15(10-12-16)19(23)14-21(17-6-2-1-3-7-17)18-8-4-5-13-22(18)19/h1-3,6-7,9-12,23H,4-5,8,13-14H2/q+1
InChIKeyHHAFHWTVFOUYQC-UHFFFAOYSA-N
XLogP3.71
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The IUPAC name of 3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol (CID 4146719) is 3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol.
What is the SMILES notation for 3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The canonical SMILES for 3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol is OC1(c2ccc(Br)cc2)CN(c2ccccc2)C2=[N+]1CCCC2.
What is the InChIKey of 3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The InChIKey is HHAFHWTVFOUYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN2O/c20-16-11-9-15(10-12-16)19(23)14-21(17-6-2-1-3-7-17)18-8-4-5-13-22(18)19/h1-3,6-7,9-12,23H,4-5,8,13-14H2/q+1.
What are the key properties of 3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol has a molecular weight of 372.29 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol is sourced from PubChem (CID 4146719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).