3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole

C24H21N3 — CID 86304029

IUPAC3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole
SMILESCCc1ccc(-c2cn3c4ccccc4nc3n2Cc2ccccc2)cc1
InChIInChI=1S/C24H21N3/c1-2-18-12-14-20(15-13-18)23-17-27-22-11-7-6-10-21(22)25-24(27)26(23)16-19-8-4-3-5-9-19/h3-15,17H,2,16H2,1H3
InChIKeyZXOHTYBLULHAFA-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.57
Rot. Bonds4

About 3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole

3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole (PubChem CID 86304029) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole
PubChem CID86304029
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole
SMILESCCc1ccc(-c2cn3c4ccccc4nc3n2Cc2ccccc2)cc1
InChIInChI=1S/C24H21N3/c1-2-18-12-14-20(15-13-18)23-17-27-22-11-7-6-10-21(22)25-24(27)26(23)16-19-8-4-3-5-9-19/h3-15,17H,2,16H2,1H3
InChIKeyZXOHTYBLULHAFA-UHFFFAOYSA-N
XLogP5.57
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(4-ethylphenyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 7388172
2-(4-ethylphenyl)-3-(2-piperidin-1-ium-1-ylethyl)imidazo[1,2-a]benzimidazole
CID 4106183
2-(4-chlorophenyl)-3-(3-chloropropyl)imidazo[1,2-a]benzimidazole
CID 3374476
2-[2-(4-bromophenyl)imidazo[1,2-a]benzimidazol-3-yl]ethanol
CID 1068607
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole
CID 70368929
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-3-yl]acetohydrazide
CID 102594426
1-benzyl-2-propylbenzimidazole
CID 764560

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole?
The IUPAC name of 3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole (CID 86304029) is 3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole?
The canonical SMILES for 3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole is CCc1ccc(-c2cn3c4ccccc4nc3n2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole?
The InChIKey is ZXOHTYBLULHAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c1-2-18-12-14-20(15-13-18)23-17-27-22-11-7-6-10-21(22)25-24(27)26(23)16-19-8-4-3-5-9-19/h3-15,17H,2,16H2,1H3.
What are the key properties of 3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole?
3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole has a molecular weight of 351.45 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 86304029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).