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

C19H20BrClN2O — CID 18553226

IUPAC1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide
SMILESOC1(c2ccccc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCC2.[Br-]
InChIInChI=1S/C19H20ClN2O.BrH/c20-16-9-11-17(12-10-16)21-14-19(23,15-6-2-1-3-7-15)22-13-5-4-8-18(21)22;/h1-3,6-7,9-12,23H,4-5,8,13-14H2;1H/q+1;/p-1
InChIKeyMNFJKGRYRVLNSX-UHFFFAOYSA-M
MW407.74 g/mol
LogP0.60
Rot. Bonds2

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

1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide (PubChem CID 18553226) has the molecular formula C19H20BrClN2O and a molecular weight of 407.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide
PubChem CID18553226
Molecular FormulaC19H20BrClN2O
Molecular Weight407.74 g/mol
Exact Mass406.04
IUPAC Name1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide
SMILESOC1(c2ccccc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCC2.[Br-]
InChIInChI=1S/C19H20ClN2O.BrH/c20-16-9-11-17(12-10-16)21-14-19(23,15-6-2-1-3-7-15)22-13-5-4-8-18(21)22;/h1-3,6-7,9-12,23H,4-5,8,13-14H2;1H/q+1;/p-1
InChIKeyMNFJKGRYRVLNSX-UHFFFAOYSA-M
XLogP0.60
TPSA26.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.74
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide?
The IUPAC name of 1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide (CID 18553226) is 1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide.
What is the SMILES notation for 1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide?
The canonical SMILES for 1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide is OC1(c2ccccc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCC2.[Br-].
What is the InChIKey of 1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide?
The InChIKey is MNFJKGRYRVLNSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H20ClN2O.BrH/c20-16-9-11-17(12-10-16)21-14-19(23,15-6-2-1-3-7-15)22-13-5-4-8-18(21)22;/h1-3,6-7,9-12,23H,4-5,8,13-14H2;1H/q+1;/p-1.
What are the key properties of 1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide?
1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide has a molecular weight of 407.74 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide is sourced from PubChem (CID 18553226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).