2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole

C23H18FN3 — CID 3281057

IUPAC2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole
SMILESCc1ccc(Cn2c3ccccc3n3cc(-c4ccc(F)cc4)nc23)cc1
InChIInChI=1S/C23H18FN3/c1-16-6-8-17(9-7-16)14-26-21-4-2-3-5-22(21)27-15-20(25-23(26)27)18-10-12-19(24)13-11-18/h2-13,15H,14H2,1H3
InChIKeyMBZOVZMNTRRMKG-UHFFFAOYSA-N
MW355.42 g/mol
LogP5.45
Rot. Bonds3

About 2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole

2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole (PubChem CID 3281057) has the molecular formula C23H18FN3 and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole
PubChem CID3281057
Molecular FormulaC23H18FN3
Molecular Weight355.42 g/mol
Exact Mass355.15
IUPAC Name2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole
SMILESCc1ccc(Cn2c3ccccc3n3cc(-c4ccc(F)cc4)nc23)cc1
InChIInChI=1S/C23H18FN3/c1-16-6-8-17(9-7-16)14-26-21-4-2-3-5-22(21)27-15-20(25-23(26)27)18-10-12-19(24)13-11-18/h2-13,15H,14H2,1H3
InChIKeyMBZOVZMNTRRMKG-UHFFFAOYSA-N
XLogP5.45
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.42
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole (CID 3281057) is 2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole is Cc1ccc(Cn2c3ccccc3n3cc(-c4ccc(F)cc4)nc23)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole?
The InChIKey is MBZOVZMNTRRMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3/c1-16-6-8-17(9-7-16)14-26-21-4-2-3-5-22(21)27-15-20(25-23(26)27)18-10-12-19(24)13-11-18/h2-13,15H,14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole?
2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole has a molecular weight of 355.42 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(4-methylphenyl)methyl]imidazo[1,2-a]benzimidazole is sourced from PubChem (CID 3281057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).