3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole

C24H21N3O — CID 2311113

IUPAC3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole
SMILESCCOc1ccc(-n2c(-c3ccc(C)cc3)cn3c4ccccc4nc23)cc1
InChIInChI=1S/C24H21N3O/c1-3-28-20-14-12-19(13-15-20)27-23(18-10-8-17(2)9-11-18)16-26-22-7-5-4-6-21(22)25-24(26)27/h4-16H,3H2,1-2H3
InChIKeyFTVPXIDUOHVTJU-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.65
Rot. Bonds4

About 3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole

3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole (PubChem CID 2311113) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole
PubChem CID2311113
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole
SMILESCCOc1ccc(-n2c(-c3ccc(C)cc3)cn3c4ccccc4nc23)cc1
InChIInChI=1S/C24H21N3O/c1-3-28-20-14-12-19(13-15-20)27-23(18-10-8-17(2)9-11-18)16-26-22-7-5-4-6-21(22)25-24(26)27/h4-16H,3H2,1-2H3
InChIKeyFTVPXIDUOHVTJU-UHFFFAOYSA-N
XLogP5.65
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)benzimidazol-2-amine
CID 43148828
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 1142987
3-(4-ethoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 740361
7-(4-ethoxyphenyl)-6-(4-fluorophenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3594037
1-(4-ethoxyphenyl)-4-(4-methylphenyl)pyrazole
CID 107958448
diethyl-[3-[2-(4-methylphenyl)imidazo[1,2-a]benzimidazol-3-yl]propyl]azanium
CID 6985044
14-(4-chlorophenyl)-13-(4-methylphenyl)-11,14,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene
CID 3804790
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
3-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)phenol
CID 4842961
2-(4-bromophenyl)-1-(4-methylphenyl)-5,6-diphenylimidazo[1,2-a]imidazole
CID 3509542
1-(4-ethoxyphenyl)-3-(1-methylbenzimidazol-2-yl)pyrrolo[3,2-b]quinoxalin-2-amine
CID 4971076
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 5202512

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole?
The IUPAC name of 3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole (CID 2311113) is 3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole is CCOc1ccc(-n2c(-c3ccc(C)cc3)cn3c4ccccc4nc23)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole?
The InChIKey is FTVPXIDUOHVTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-3-28-20-14-12-19(13-15-20)27-23(18-10-8-17(2)9-11-18)16-26-22-7-5-4-6-21(22)25-24(26)27/h4-16H,3H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole?
3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole has a molecular weight of 367.45 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-(4-methylphenyl)imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 2311113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).