5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium

C22H21N2+ — CID 102148779

IUPAC5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium
SMILESCc1cccc2c(-c3ccccc3)[n+]([C@@H](C)c3ccccc3)cn12
InChIInChI=1S/C22H21N2/c1-17-10-9-15-21-22(20-13-7-4-8-14-20)24(16-23(17)21)18(2)19-11-5-3-6-12-19/h3-16,18H,1-2H3/q+1/t18-/m0/s1
InChIKeyXOXVSCSHYMGNOF-SFHVURJKSA-N
MW313.42 g/mol
LogP4.81
Rot. Bonds3

About 5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium

5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium (PubChem CID 102148779) has the molecular formula C22H21N2+ and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium.

Molecular Properties

Compound Name5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium
PubChem CID102148779
Molecular FormulaC22H21N2+
Molecular Weight313.42 g/mol
Exact Mass313.17
IUPAC Name5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium
SMILESCc1cccc2c(-c3ccccc3)[n+]([C@@H](C)c3ccccc3)cn12
InChIInChI=1S/C22H21N2/c1-17-10-9-15-21-22(20-13-7-4-8-14-20)24(16-23(17)21)18(2)19-11-5-3-6-12-19/h3-16,18H,1-2H3/q+1/t18-/m0/s1
InChIKeyXOXVSCSHYMGNOF-SFHVURJKSA-N
XLogP4.81
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium with MolForge

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

Launch Full Analysis

Related Compounds

1,3-bis(1-phenylethyl)benzimidazol-3-ium
CID 72803194
2-methyl-3-(2-methyl-1-phenylimidazo[1,5-a]pyridin-2-ium-3-yl)-1-phenylimidazo[1,5-a]pyridin-2-ium diiodide
CID 155541230
1-phenylethylbenzene;stibane
CID 174965918
1-(1-phenylethyl)quinolin-1-ium bromide
CID 158799424
1-(1-phenylethyl)pyridin-1-ium bromide
CID 70404248
5-methyl-2-phenylimidazo[1,2-a]pyridine
CID 735395
(1S)-1-phenylethanol
CID 157125626
[methylamino(phenyl)methyl]phosphonous acid
CID 177256216
ethane;N-methyl-1-phenylethanamine
CID 91444453
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
1,3-bis[(1S)-1-phenylethyl]imidazol-1-ium tetrafluoroborate
CID 162422674
(4S,5S)-4,5-diphenyl-1,3-bis[(1R)-1-phenylethyl]-4,5-dihydroimidazol-1-ium tetrafluoroborate
CID 134920073

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium?
The IUPAC name of 5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium (CID 102148779) is 5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium.
What is the SMILES notation for 5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium?
The canonical SMILES for 5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium is Cc1cccc2c(-c3ccccc3)[n+]([C@@H](C)c3ccccc3)cn12.
What is the InChIKey of 5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium?
The InChIKey is XOXVSCSHYMGNOF-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21N2/c1-17-10-9-15-21-22(20-13-7-4-8-14-20)24(16-23(17)21)18(2)19-11-5-3-6-12-19/h3-16,18H,1-2H3/q+1/t18-/m0/s1.
What are the key properties of 5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium?
5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium has a molecular weight of 313.42 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-2-[(1S)-1-phenylethyl]imidazo[1,5-a]pyridin-2-ium is sourced from PubChem (CID 102148779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).