1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol

C19H21N2O+ — CID 3345095

IUPAC1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
SMILESOC1(c2ccccc2)CN(c2ccccc2)C2=[N+]1CCCC2
InChIInChI=1S/C19H21N2O/c22-19(16-9-3-1-4-10-16)15-20(17-11-5-2-6-12-17)18-13-7-8-14-21(18)19/h1-6,9-12,22H,7-8,13-15H2/q+1
InChIKeyHIHVFBIPSUUBRO-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.95
Rot. Bonds2

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

1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol (PubChem CID 3345095) has the molecular formula C19H21N2O+ and a molecular weight of 293.39 g/mol. Its IUPAC name is 1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol.

Molecular Properties

Compound Name1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
PubChem CID3345095
Molecular FormulaC19H21N2O+
Molecular Weight293.39 g/mol
Exact Mass293.16
IUPAC Name1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol
SMILESOC1(c2ccccc2)CN(c2ccccc2)C2=[N+]1CCCC2
InChIInChI=1S/C19H21N2O/c22-19(16-9-3-1-4-10-16)15-20(17-11-5-2-6-12-17)18-13-7-8-14-21(18)19/h1-6,9-12,22H,7-8,13-15H2/q+1
InChIKeyHIHVFBIPSUUBRO-UHFFFAOYSA-N
XLogP2.95
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.95
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 1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The IUPAC name of 1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol (CID 3345095) is 1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol.
What is the SMILES notation for 1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The canonical SMILES for 1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol is OC1(c2ccccc2)CN(c2ccccc2)C2=[N+]1CCCC2.
What is the InChIKey of 1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
The InChIKey is HIHVFBIPSUUBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N2O/c22-19(16-9-3-1-4-10-16)15-20(17-11-5-2-6-12-17)18-13-7-8-14-21(18)19/h1-6,9-12,22H,7-8,13-15H2/q+1.
What are the key properties of 1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol?
1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol has a molecular weight of 293.39 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol is sourced from PubChem (CID 3345095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).