7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine

C24H20N3+ — CID 159233577

IUPAC7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine
SMILESCc1cc2c(c(C)c1-n1cc[n+]3c1-c1ccccc1C3)Cc1ccncc1-2
InChIInChI=1S/C24H20N3/c1-15-11-21-20(12-17-7-8-25-13-22(17)21)16(2)23(15)27-10-9-26-14-18-5-3-4-6-19(18)24(26)27/h3-11,13H,12,14H2,1-2H3/q+1
InChIKeyBPPAPLODRFQYRO-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.38
Rot. Bonds1

About 7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine

7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine (PubChem CID 159233577) has the molecular formula C24H20N3+ and a molecular weight of 350.44 g/mol. Its IUPAC name is 7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine.

Molecular Properties

Compound Name7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine
PubChem CID159233577
Molecular FormulaC24H20N3+
Molecular Weight350.44 g/mol
Exact Mass350.17
IUPAC Name7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine
SMILESCc1cc2c(c(C)c1-n1cc[n+]3c1-c1ccccc1C3)Cc1ccncc1-2
InChIInChI=1S/C24H20N3/c1-15-11-21-20(12-17-7-8-25-13-22(17)21)16(2)23(15)27-10-9-26-14-18-5-3-4-6-19(18)24(26)27/h3-11,13H,12,14H2,1-2H3/q+1
InChIKeyBPPAPLODRFQYRO-UHFFFAOYSA-N
XLogP4.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-2,6-dimethylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium
CID 58113536
1-(2,6-diethyl-4-phenylphenyl)-5H-imidazo[2,1-a]isoindol-4-ium
CID 158108447
9-[8-[4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-3,5-dimethylphenyl]dibenzofuran-2-yl]carbazole
CID 58113484
7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-di(propan-2-yl)-[1]benzothiolo[3,2-b]pyridine
CID 158101859
4-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-9-methyl-1,3-di(propan-2-yl)carbazole
CID 159928089
tris(1-(2,3-dimethyl-9H-fluoren-1-yl)isoquinoline);iridium(3+)
CID 175811076
2,3,4-trimethyl-10H-anthracen-9-one
CID 21344517
3,11-dimethyl-3,11,15-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene
CID 161097527
4-(2,3-dimethyl-9H-fluoren-1-yl)triazine
CID 170983869
1-[2,6-bis(2-methylpropyl)-3,5-diphenylphenyl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[2,6-bis(2-methylpropyl)-3-phenylphenyl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[3,5-diphenyl-2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;1-[3-phenyl-2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium
CID 157192206
1,2-dimethyl-9H-fluoren-3-ol
CID 162039436
1,3-dimethyl-N-phenyl-9H-fluoren-2-amine
CID 174831401

Frequently Asked Questions

What is the IUPAC name of 7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine?
The IUPAC name of 7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine (CID 159233577) is 7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine.
What is the SMILES notation for 7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine?
The canonical SMILES for 7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine is Cc1cc2c(c(C)c1-n1cc[n+]3c1-c1ccccc1C3)Cc1ccncc1-2.
What is the InChIKey of 7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine?
The InChIKey is BPPAPLODRFQYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N3/c1-15-11-21-20(12-17-7-8-25-13-22(17)21)16(2)23(15)27-10-9-26-14-18-5-3-4-6-19(18)24(26)27/h3-11,13H,12,14H2,1-2H3/q+1.
What are the key properties of 7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine?
7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine has a molecular weight of 350.44 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5H-imidazo[2,1-a]isoindol-4-ium-1-yl)-6,8-dimethyl-5H-indeno[1,2-c]pyridine is sourced from PubChem (CID 159233577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).