3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide

C23H16ClF2N3O — CID 24720854

IUPAC3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C23H16ClF2N3O/c24-17-6-1-4-15(10-17)16-5-2-7-18(11-16)29-14-27-13-22(29)23(30)28-12-19-20(25)8-3-9-21(19)26/h1-11,13-14H,12H2,(H,28,30)
InChIKeyAWASAHZAPGGJQY-UHFFFAOYSA-N
MW423.85 g/mol
LogP5.40
Rot. Bonds5

About 3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide

3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide (PubChem CID 24720854) has the molecular formula C23H16ClF2N3O and a molecular weight of 423.85 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
PubChem CID24720854
Molecular FormulaC23H16ClF2N3O
Molecular Weight423.85 g/mol
Exact Mass423.09
IUPAC Name3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C23H16ClF2N3O/c24-17-6-1-4-15(10-17)16-5-2-7-18(11-16)29-14-27-13-22(29)23(30)28-12-19-20(25)8-3-9-21(19)26/h1-11,13-14H,12H2,(H,28,30)
InChIKeyAWASAHZAPGGJQY-UHFFFAOYSA-N
XLogP5.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.85
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide (CID 24720854) is 3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide is O=C(NCc1c(F)cccc1F)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
The InChIKey is AWASAHZAPGGJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N3O/c24-17-6-1-4-15(10-17)16-5-2-7-18(11-16)29-14-27-13-22(29)23(30)28-12-19-20(25)8-3-9-21(19)26/h1-11,13-14H,12H2,(H,28,30).
What are the key properties of 3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide?
3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide has a molecular weight of 423.85 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 24720854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).