N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide

C18H13F3IN3O — CID 68916025

IUPACN-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide
SMILESCc1c(I)cccc1C(=O)Nc1cc(-n2ccnc2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H13F3IN3O/c1-11-15(3-2-4-16(11)22)17(26)24-13-7-12(18(19,20)21)8-14(9-13)25-6-5-23-10-25/h2-10H,1H3,(H,24,26)
InChIKeyWXVQOFRQGHGGPL-UHFFFAOYSA-N
MW471.22 g/mol
LogP5.06
Rot. Bonds3

About N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide

N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide (PubChem CID 68916025) has the molecular formula C18H13F3IN3O and a molecular weight of 471.22 g/mol. Its IUPAC name is N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide
PubChem CID68916025
Molecular FormulaC18H13F3IN3O
Molecular Weight471.22 g/mol
Exact Mass471.01
IUPAC NameN-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide
SMILESCc1c(I)cccc1C(=O)Nc1cc(-n2ccnc2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H13F3IN3O/c1-11-15(3-2-4-16(11)22)17(26)24-13-7-12(18(19,20)21)8-14(9-13)25-6-5-23-10-25/h2-10H,1H3,(H,24,26)
InChIKeyWXVQOFRQGHGGPL-UHFFFAOYSA-N
XLogP5.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.22
LogP ≤ 55.06
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

2-amino-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 141158553
N-[4-[1-(4-imidazol-1-ylpyridine-2-carbonyl)piperidin-4-yl]phenyl]-2-methyl-3-(trifluoromethyl)benzamide
CID 171678139
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273
3-imidazol-1-yl-5-(trifluoromethyl)benzamide
CID 143662292
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 167820655
N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methyl-3-[2-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]ethynyl]benzamide
CID 24873330
2-bromo-N-(4-imidazol-1-ylphenyl)benzamide
CID 37239314
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-2-iodobenzamide
CID 122313331
6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide
CID 166206985
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 166208133
3,4-dimethyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide;ethane
CID 162361882

Frequently Asked Questions

What is the IUPAC name of N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide?
The IUPAC name of N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide (CID 68916025) is N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide.
What is the SMILES notation for N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide?
The canonical SMILES for N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide is Cc1c(I)cccc1C(=O)Nc1cc(-n2ccnc2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide?
The InChIKey is WXVQOFRQGHGGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3IN3O/c1-11-15(3-2-4-16(11)22)17(26)24-13-7-12(18(19,20)21)8-14(9-13)25-6-5-23-10-25/h2-10H,1H3,(H,24,26).
What are the key properties of N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide?
N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide has a molecular weight of 471.22 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-3-iodo-2-methylbenzamide is sourced from PubChem (CID 68916025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).