N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide

C24H17F3IN3O — CID 46081597

IUPACN-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
SMILESO=C(NCc1cccc(I)c1)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C24H17F3IN3O/c25-24(26,27)21-10-2-1-9-20(21)17-6-4-8-19(12-17)31-15-29-14-22(31)23(32)30-13-16-5-3-7-18(28)11-16/h1-12,14-15H,13H2,(H,30,32)
InChIKeySLZNHFNKMFZWQB-UHFFFAOYSA-N
MW547.32 g/mol
LogP6.09
Rot. Bonds5

About N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide

N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide (PubChem CID 46081597) has the molecular formula C24H17F3IN3O and a molecular weight of 547.32 g/mol. Its IUPAC name is N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
PubChem CID46081597
Molecular FormulaC24H17F3IN3O
Molecular Weight547.32 g/mol
Exact Mass547.04
IUPAC NameN-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
SMILESO=C(NCc1cccc(I)c1)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C24H17F3IN3O/c25-24(26,27)21-10-2-1-9-20(21)17-6-4-8-19(12-17)31-15-29-14-22(31)23(32)30-13-16-5-3-7-18(28)11-16/h1-12,14-15H,13H2,(H,30,32)
InChIKeySLZNHFNKMFZWQB-UHFFFAOYSA-N
XLogP6.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.32
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 92769989
N-heptan-2-yl-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081560
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 92771028
N-(1-methoxybutan-2-yl)-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081579
N-[(4-chlorophenyl)methyl]-3-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazole-4-carboxamide
CID 46102829
3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 46101362
3-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 46102849
3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide
CID 46101325
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(4-chlorophenyl)methyl]imidazole-4-carboxamide
CID 46103141
2-(benzimidazol-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-(benzimidazol-1-yl)-N-[[3-[3-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 87834703
N-[(2-bromophenyl)methyl]-3-[3-(3,4-dimethoxyphenyl)phenyl]imidazole-4-carboxamide
CID 46103186
1-[3-[[(2-aminoacetyl)amino]methyl]phenyl]-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 143251914

Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide?
The IUPAC name of N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide (CID 46081597) is N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide is O=C(NCc1cccc(I)c1)c1cncn1-c1cccc(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide?
The InChIKey is SLZNHFNKMFZWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3IN3O/c25-24(26,27)21-10-2-1-9-20(21)17-6-4-8-19(12-17)31-15-29-14-22(31)23(32)30-13-16-5-3-7-18(28)11-16/h1-12,14-15H,13H2,(H,30,32).
What are the key properties of N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide?
N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide has a molecular weight of 547.32 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 46081597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).