3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole

C20H16N6 — CID 139537695

IUPAC3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole
SMILESCn1ccn2c3ccc(-c4cn5c6ccccc6n(C)c5n4)cc3nc12
InChIInChI=1S/C20H16N6/c1-23-9-10-25-16-8-7-13(11-14(16)21-19(23)25)15-12-26-18-6-4-3-5-17(18)24(2)20(26)22-15/h3-12H,1-2H3
InChIKeyWEXQRNLRYWAION-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.63
Rot. Bonds1

About 3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole

3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole (PubChem CID 139537695) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole
PubChem CID139537695
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole
SMILESCn1ccn2c3ccc(-c4cn5c6ccccc6n(C)c5n4)cc3nc12
InChIInChI=1S/C20H16N6/c1-23-9-10-25-16-8-7-13(11-14(16)21-19(23)25)15-12-26-18-6-4-3-5-17(18)24(2)20(26)22-15/h3-12H,1-2H3
InChIKeyWEXQRNLRYWAION-UHFFFAOYSA-N
XLogP3.63
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-dimethylimidazol-1-ium-2-yl)-3-methylimidazo[1,2-a]benzimidazole
CID 157292294
2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride
CID 52994959
2-phenyl-4-propylimidazo[1,2-a]benzimidazole
CID 799630
7-imidazo[1,2-a]benzimidazol-3-yl-3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)imidazo[1,2-a]benzimidazole;7-imidazo[1,2-a]benzimidazol-3-yl-3-[3-(3-imidazo[1,2-a]benzimidazol-3-ylphenyl)phenyl]imidazo[1,2-a]benzimidazole
CID 161018566
5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 123753360
11-phenyl-1,9,12-triazatetracyclo[6.5.1.04,14.09,13]tetradeca-4(14),5,7,10,12-pentaene
CID 15289661
4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride
CID 52994899
2-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 1291433
2-(4-phenylphenyl)-4-(2-piperidin-1-ylethyl)imidazo[1,2-a]benzimidazole;dihydrochloride
CID 2858997
1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole
CID 116903947
2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
CID 3332849
4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 82500092

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole?
The IUPAC name of 3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole (CID 139537695) is 3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole?
The canonical SMILES for 3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole is Cn1ccn2c3ccc(-c4cn5c6ccccc6n(C)c5n4)cc3nc12.
What is the InChIKey of 3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole?
The InChIKey is WEXQRNLRYWAION-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c1-23-9-10-25-16-8-7-13(11-14(16)21-19(23)25)15-12-26-18-6-4-3-5-17(18)24(2)20(26)22-15/h3-12H,1-2H3.
What are the key properties of 3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole?
3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole has a molecular weight of 340.39 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylimidazo[1,2-a]benzimidazol-2-yl)imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 139537695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).