3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide

C19H12F3N3O — CID 178075305

IUPAC3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)16-12-23-18(25-16)14-7-4-8-15(11-14)24-17(26)10-9-13-5-2-1-3-6-13/h1-8,11-12H,(H,23,25)(H,24,26)
InChIKeyJIBLJZBRBGEAAZ-UHFFFAOYSA-N
MW355.32 g/mol
LogP4.09
Rot. Bonds2

About 3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide

3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide (PubChem CID 178075305) has the molecular formula C19H12F3N3O and a molecular weight of 355.32 g/mol. Its IUPAC name is 3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide.

Molecular Properties

Compound Name3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide
PubChem CID178075305
Molecular FormulaC19H12F3N3O
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide
SMILESO=C(C#Cc1ccccc1)Nc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)16-12-23-18(25-16)14-7-4-8-15(11-14)24-17(26)10-9-13-5-2-1-3-6-13/h1-8,11-12H,(H,23,25)(H,24,26)
InChIKeyJIBLJZBRBGEAAZ-UHFFFAOYSA-N
XLogP4.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide
CID 178075492
N-[2-[2-(3-methoxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-phenylprop-2-ynamide
CID 178075208
3-(3-fluorophenyl)-N-[2-(2-formamidoethoxy)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide
CID 178075301
N-[2-(2-acetamidoethoxy)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(3-chlorophenyl)prop-2-ynamide
CID 178075222
3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide
CID 156695258
3-(3-fluorophenyl)-N-[2-[(1-methylpiperidin-4-yl)methoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide
CID 178075349
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-ynamide
CID 122137616
3-(3-bromophenyl)-N-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide
CID 178075332
N-[2-[2-(3-hydroxypyrrolidin-1-yl)ethoxy]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-pyridin-3-ylprop-2-ynamide
CID 178075684
4-chloro-N-[3-(2-phenyl-1H-imidazol-5-yl)phenyl]benzamide;hydrochloride
CID 162317763
N-[2-(cyclopentylmethoxy)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]-3-(1-methylpyrazol-4-yl)prop-2-ynamide
CID 178075604
N-isoquinolin-6-yl-3-phenylprop-2-ynamide
CID 135200057

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide?
The IUPAC name of 3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide (CID 178075305) is 3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide.
What is the SMILES notation for 3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide?
The canonical SMILES for 3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide is O=C(C#Cc1ccccc1)Nc1cccc(-c2ncc(C(F)(F)F)[nH]2)c1.
What is the InChIKey of 3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide?
The InChIKey is JIBLJZBRBGEAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O/c20-19(21,22)16-12-23-18(25-16)14-7-4-8-15(11-14)24-17(26)10-9-13-5-2-1-3-6-13/h1-8,11-12H,(H,23,25)(H,24,26).
What are the key properties of 3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide?
3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide has a molecular weight of 355.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]prop-2-ynamide is sourced from PubChem (CID 178075305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).