1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one

C24H19FN4O — CID 23581439

IUPAC1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCc1cccc(-c2nc[nH]c2-c2ccc3c(c2)n(C)c(=O)n3-c2ccc(F)cc2)c1
InChIInChI=1S/C24H19FN4O/c1-15-4-3-5-16(12-15)22-23(27-14-26-22)17-6-11-20-21(13-17)28(2)24(30)29(20)19-9-7-18(25)8-10-19/h3-14H,1-2H3,(H,26,27)
InChIKeyYEBJZNWIVCSUKH-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.83
Rot. Bonds3

About 1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one

1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one (PubChem CID 23581439) has the molecular formula C24H19FN4O and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
PubChem CID23581439
Molecular FormulaC24H19FN4O
Molecular Weight398.44 g/mol
Exact Mass398.15
IUPAC Name1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one
SMILESCc1cccc(-c2nc[nH]c2-c2ccc3c(c2)n(C)c(=O)n3-c2ccc(F)cc2)c1
InChIInChI=1S/C24H19FN4O/c1-15-4-3-5-16(12-15)22-23(27-14-26-22)17-6-11-20-21(13-17)28(2)24(30)29(20)19-9-7-18(25)8-10-19/h3-14H,1-2H3,(H,26,27)
InChIKeyYEBJZNWIVCSUKH-UHFFFAOYSA-N
XLogP4.83
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one (CID 23581439) is 1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one is Cc1cccc(-c2nc[nH]c2-c2ccc3c(c2)n(C)c(=O)n3-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one?
The InChIKey is YEBJZNWIVCSUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O/c1-15-4-3-5-16(12-15)22-23(27-14-26-22)17-6-11-20-21(13-17)28(2)24(30)29(20)19-9-7-18(25)8-10-19/h3-14H,1-2H3,(H,26,27).
What are the key properties of 1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one?
1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one has a molecular weight of 398.44 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-5-[4-(3-methylphenyl)-1H-imidazol-5-yl]benzimidazol-2-one is sourced from PubChem (CID 23581439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).