4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

C20H17ClF3N3O2 — CID 17344357

IUPAC4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCCCN1C(=O)C(NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C20H17ClF3N3O2/c1-2-12-27-16(13-6-4-3-5-7-13)25-19(18(27)29,20(22,23)24)26-17(28)14-8-10-15(21)11-9-14/h3-11H,2,12H2,1H3,(H,26,28)
InChIKeyGRKCZXUNCKDYMB-UHFFFAOYSA-N
MW423.82 g/mol
LogP4.03
Rot. Bonds5

About 4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 17344357) has the molecular formula C20H17ClF3N3O2 and a molecular weight of 423.82 g/mol. Its IUPAC name is 4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID17344357
Molecular FormulaC20H17ClF3N3O2
Molecular Weight423.82 g/mol
Exact Mass423.10
IUPAC Name4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCCCN1C(=O)C(NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)N=C1c1ccccc1
InChIInChI=1S/C20H17ClF3N3O2/c1-2-12-27-16(13-6-4-3-5-7-13)25-19(18(27)29,20(22,23)24)26-17(28)14-8-10-15(21)11-9-14/h3-11H,2,12H2,1H3,(H,26,28)
InChIKeyGRKCZXUNCKDYMB-UHFFFAOYSA-N
XLogP4.03
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.82
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 17344357) is 4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is CCCN1C(=O)C(NC(=O)c2ccc(Cl)cc2)(C(F)(F)F)N=C1c1ccccc1.
What is the InChIKey of 4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is GRKCZXUNCKDYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O2/c1-2-12-27-16(13-6-4-3-5-7-13)25-19(18(27)29,20(22,23)24)26-17(28)14-8-10-15(21)11-9-14/h3-11H,2,12H2,1H3,(H,26,28).
What are the key properties of 4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 423.82 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 17344357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).