N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C16H11F3IN3O — CID 26517476

IUPACN-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc(I)c1
InChIInChI=1S/C16H11F3IN3O/c17-16(18,19)15-22-12-6-1-2-7-13(12)23(15)9-14(24)21-11-5-3-4-10(20)8-11/h1-8H,9H2,(H,21,24)
InChIKeyFWWAVTIBLKIKOG-UHFFFAOYSA-N
MW445.18 g/mol
LogP4.30
Rot. Bonds3

About N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 26517476) has the molecular formula C16H11F3IN3O and a molecular weight of 445.18 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID26517476
Molecular FormulaC16H11F3IN3O
Molecular Weight445.18 g/mol
Exact Mass444.99
IUPAC NameN-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc(I)c1
InChIInChI=1S/C16H11F3IN3O/c17-16(18,19)15-22-12-6-1-2-7-13(12)23(15)9-14(24)21-11-5-3-4-10(20)8-11/h1-8H,9H2,(H,21,24)
InChIKeyFWWAVTIBLKIKOG-UHFFFAOYSA-N
XLogP4.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.18
LogP ≤ 54.30
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-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26688623
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 37003501
N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 51122950
N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39045058
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 24639734
N-[4-(dimethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26196060
N-(2-fluoro-5-methylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723406
N-[4-(1,2,4-triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 37122278
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 43040516
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27786943
4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide
CID 31965173
N-(3-methyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39951951

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 26517476) is N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is FWWAVTIBLKIKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3IN3O/c17-16(18,19)15-22-12-6-1-2-7-13(12)23(15)9-14(24)21-11-5-3-4-10(20)8-11/h1-8H,9H2,(H,21,24).
What are the key properties of N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 445.18 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 26517476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).