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

C23H16ClF2N3O — CID 24720755

IUPACN-[(4-chlorophenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C23H16ClF2N3O/c24-18-6-1-15(2-7-18)12-28-23(30)22-13-27-14-29(22)19-8-3-16(4-9-19)17-5-10-20(25)21(26)11-17/h1-11,13-14H,12H2,(H,28,30)
InChIKeyMBWXJYFBLWRSCD-UHFFFAOYSA-N
MW423.85 g/mol
LogP5.40
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide (PubChem CID 24720755) has the molecular formula C23H16ClF2N3O and a molecular weight of 423.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide
PubChem CID24720755
Molecular FormulaC23H16ClF2N3O
Molecular Weight423.85 g/mol
Exact Mass423.09
IUPAC NameN-[(4-chlorophenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C23H16ClF2N3O/c24-18-6-1-15(2-7-18)12-28-23(30)22-13-27-14-29(22)19-8-3-16(4-9-19)17-5-10-20(25)21(26)11-17/h1-11,13-14H,12H2,(H,28,30)
InChIKeyMBWXJYFBLWRSCD-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 N-[(4-chlorophenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide (CID 24720755) is N-[(4-chlorophenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide?
The InChIKey is MBWXJYFBLWRSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N3O/c24-18-6-1-15(2-7-18)12-28-23(30)22-13-27-14-29(22)19-8-3-16(4-9-19)17-5-10-20(25)21(26)11-17/h1-11,13-14H,12H2,(H,28,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide?
N-[(4-chlorophenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]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 N-[(4-chlorophenyl)methyl]-3-[4-(3,4-difluorophenyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 24720755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).