1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium

C20H16N3O2+ — CID 132507468

IUPAC1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium
SMILESC[n+]1ccn2ccc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c21
InChIInChI=1S/C20H16N3O2/c1-21-13-14-22-12-11-18(15-5-3-2-4-6-15)19(20(21)22)16-7-9-17(10-8-16)23(24)25/h2-14H,1H3/q+1
InChIKeyRHGTWJLBNWEEDI-UHFFFAOYSA-N
MW330.37 g/mol
LogP4.01
Rot. Bonds3

About 1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium

1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium (PubChem CID 132507468) has the molecular formula C20H16N3O2+ and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium
PubChem CID132507468
Molecular FormulaC20H16N3O2+
Molecular Weight330.37 g/mol
Exact Mass330.12
IUPAC Name1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium
SMILESC[n+]1ccn2ccc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c21
InChIInChI=1S/C20H16N3O2/c1-21-13-14-22-12-11-18(15-5-3-2-4-6-15)19(20(21)22)16-7-9-17(10-8-16)23(24)25/h2-14H,1H3/q+1
InChIKeyRHGTWJLBNWEEDI-UHFFFAOYSA-N
XLogP4.01
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

8-(4-methoxyphenyl)-1-methyl-7-phenylimidazo[1,2-a]pyridin-1-ium
CID 132507469
1-methyl-6-(4-nitrophenyl)-7-phenylindole
CID 134952632
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
1-methyl-5-(4-nitrophenyl)-2,3-diphenylpyrrole
CID 15163333
10-methyl-9-(4-nitrophenyl)acridin-10-ium tetrafluoroborate
CID 164677656
benzene;iron;nitrobenzene
CID 174446919
ethanol;1,2,3,4,5,6-hexakis(4-nitrophenyl)benzene
CID 139036987
6-(4-aminophenyl)-2,3-bis(4-nitrophenyl)aniline
CID 174929403
1-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-4-ium
CID 820943
1-methyl-2-(4-nitrophenyl)-3-phenylindole
CID 160683376

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium?
The IUPAC name of 1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium (CID 132507468) is 1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium.
What is the SMILES notation for 1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium?
The canonical SMILES for 1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium is C[n+]1ccn2ccc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c21.
What is the InChIKey of 1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium?
The InChIKey is RHGTWJLBNWEEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N3O2/c1-21-13-14-22-12-11-18(15-5-3-2-4-6-15)19(20(21)22)16-7-9-17(10-8-16)23(24)25/h2-14H,1H3/q+1.
What are the key properties of 1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium?
1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium has a molecular weight of 330.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(4-nitrophenyl)-7-phenylimidazo[1,2-a]pyridin-1-ium is sourced from PubChem (CID 132507468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).