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

C24H19F2N3O — CID 24720811

IUPACN-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(-n2cncc2C(=O)NCc2c(F)cccc2F)cc1
InChIInChI=1S/C24H19F2N3O/c1-16-5-2-3-6-19(16)17-9-11-18(12-10-17)29-15-27-14-23(29)24(30)28-13-20-21(25)7-4-8-22(20)26/h2-12,14-15H,13H2,1H3,(H,28,30)
InChIKeyKDDSYNQJLNDDAD-UHFFFAOYSA-N
MW403.43 g/mol
LogP5.06
Rot. Bonds5

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

N-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide (PubChem CID 24720811) has the molecular formula C24H19F2N3O and a molecular weight of 403.43 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
PubChem CID24720811
Molecular FormulaC24H19F2N3O
Molecular Weight403.43 g/mol
Exact Mass403.15
IUPAC NameN-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(-n2cncc2C(=O)NCc2c(F)cccc2F)cc1
InChIInChI=1S/C24H19F2N3O/c1-16-5-2-3-6-19(16)17-9-11-18(12-10-17)29-15-27-14-23(29)24(30)28-13-20-21(25)7-4-8-22(20)26/h2-12,14-15H,13H2,1H3,(H,28,30)
InChIKeyKDDSYNQJLNDDAD-UHFFFAOYSA-N
XLogP5.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide (CID 24720811) is N-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide is Cc1ccccc1-c1ccc(-n2cncc2C(=O)NCc2c(F)cccc2F)cc1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
The InChIKey is KDDSYNQJLNDDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O/c1-16-5-2-3-6-19(16)17-9-11-18(12-10-17)29-15-27-14-23(29)24(30)28-13-20-21(25)7-4-8-22(20)26/h2-12,14-15H,13H2,1H3,(H,28,30).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide?
N-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide has a molecular weight of 403.43 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 24720811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).