2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole

C15H16N5+ — CID 157292294

IUPAC2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole
SMILESCn1cc[n+](C)c1-c1cn2c3ccccc3nc2n1C
InChIInChI=1S/C15H16N5/c1-17-8-9-18(2)14(17)13-10-20-12-7-5-4-6-11(12)16-15(20)19(13)3/h4-10H,1-3H3/q+1
InChIKeyPDNAUTVGYQWKGE-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.66
Rot. Bonds1

About 2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole

2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole (PubChem CID 157292294) has the molecular formula C15H16N5+ and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole
PubChem CID157292294
Molecular FormulaC15H16N5+
Molecular Weight266.33 g/mol
Exact Mass266.14
IUPAC Name2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole
SMILESCn1cc[n+](C)c1-c1cn2c3ccccc3nc2n1C
InChIInChI=1S/C15H16N5/c1-17-8-9-18(2)14(17)13-10-20-12-7-5-4-6-11(12)16-15(20)19(13)3/h4-10H,1-3H3/q+1
InChIKeyPDNAUTVGYQWKGE-UHFFFAOYSA-N
XLogP1.66
TPSA31.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole;3-methyl-2-(1-methyl-4-phenyl-3H-pyridin-1-ium-3-id-6-yl)imidazo[1,2-a]benzimidazole;3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]imidazo[1,2-a]benzimidazole;yttrium
CID 157292293
3-methyl-2-[1-methyl-4-phenyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]imidazo[1,2-a]benzimidazole
CID 140944490
2-[1,3-dimethyl-6-[1-methyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole
CID 157255805
2-[6-[1,5-dimethyl-4-(trideuteriomethyl)pyridin-1-ium-2-yl]-1,3-dimethyl-5-(trideuteriomethyl)pyridin-1-ium-2-yl]-3-methylimidazo[1,2-a]benzimidazole
CID 157255806
3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole
CID 139537695
2-(4-ethylphenyl)-3-(2-methoxyethyl)imidazo[1,2-a]benzimidazole
CID 86304031
2-[2-(4-ethylphenyl)imidazo[1,2-a]benzimidazol-3-yl]-N-methylethanamine
CID 86303576
1,3-dimethyl-2-(2-methylphenyl)imidazol-1-ium;ethane;tris(yttrium)
CID 158292360
3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole
CID 86304029
1,2,3-trimethylimidazo[1,2-a]benzimidazole
CID 157483248
2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol
CID 1068607
3-(2-methylimidazo[1,2-a]benzimidazol-3-yl)propan-1-ol
CID 6624969

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole?
The IUPAC name of 2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole (CID 157292294) is 2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole?
The canonical SMILES for 2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole is Cn1cc[n+](C)c1-c1cn2c3ccccc3nc2n1C.
What is the InChIKey of 2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole?
The InChIKey is PDNAUTVGYQWKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N5/c1-17-8-9-18(2)14(17)13-10-20-12-7-5-4-6-11(12)16-15(20)19(13)3/h4-10H,1-3H3/q+1.
What are the key properties of 2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole?
2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole has a molecular weight of 266.33 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 157292294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).