1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole

C23H20N4 — CID 140932430

IUPAC1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole
SMILESCc1c(C)n2c3ccccc3nc2n1-c1ccc(-c2ccccc2)[c-][n+]1C
InChIInChI=1S/C23H20N4/c1-16-17(2)27(23-24-20-11-7-8-12-21(20)26(16)23)22-14-13-19(15-25(22)3)18-9-5-4-6-10-18/h4-14H,1-3H3
InChIKeyOANAHNDQEPQYEI-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.19
Rot. Bonds2

About 1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole

1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole (PubChem CID 140932430) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole
PubChem CID140932430
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole
SMILESCc1c(C)n2c3ccccc3nc2n1-c1ccc(-c2ccccc2)[c-][n+]1C
InChIInChI=1S/C23H20N4/c1-16-17(2)27(23-24-20-11-7-8-12-21(20)26(16)23)22-14-13-19(15-25(22)3)18-9-5-4-6-10-18/h4-14H,1-3H3
InChIKeyOANAHNDQEPQYEI-UHFFFAOYSA-N
XLogP4.19
TPSA26.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trimethylimidazo[1,2-a]benzimidazole
CID 157483248
2,3-dimethyl-1-phenylimidazo[1,2-a]benzimidazole
CID 158748738
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
5-(2-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 122468410
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139480243
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 139480020
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole
CID 126749781
2-chloro-1-phenylbenzimidazole
CID 12675133
N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482162
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole?
The IUPAC name of 1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole (CID 140932430) is 1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole?
The canonical SMILES for 1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole is Cc1c(C)n2c3ccccc3nc2n1-c1ccc(-c2ccccc2)[c-][n+]1C.
What is the InChIKey of 1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole?
The InChIKey is OANAHNDQEPQYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-16-17(2)27(23-24-20-11-7-8-12-21(20)26(16)23)22-14-13-19(15-25(22)3)18-9-5-4-6-10-18/h4-14H,1-3H3.
What are the key properties of 1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole?
1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole has a molecular weight of 352.44 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(1-methyl-3-phenyl-2H-pyridin-1-ium-2-id-6-yl)imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 140932430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).