N-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide

C20H17ClF3N3O — CID 162493936

IUPACN-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1CCc1cnc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C20H17ClF3N3O/c1-12(28)26-18-9-5-15(20(22,23)24)10-14(18)4-8-17-11-25-19(27-17)13-2-6-16(21)7-3-13/h2-3,5-7,9-11H,4,8H2,1H3,(H,25,27)(H,26,28)
InChIKeyCECFKJBTVVNCMZ-UHFFFAOYSA-N
MW407.82 g/mol
LogP5.49
Rot. Bonds5

About N-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide

N-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 162493936) has the molecular formula C20H17ClF3N3O and a molecular weight of 407.82 g/mol. Its IUPAC name is N-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide
PubChem CID162493936
Molecular FormulaC20H17ClF3N3O
Molecular Weight407.82 g/mol
Exact Mass407.10
IUPAC NameN-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(F)(F)F)cc1CCc1cnc(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C20H17ClF3N3O/c1-12(28)26-18-9-5-15(20(22,23)24)10-14(18)4-8-17-11-25-19(27-17)13-2-6-16(21)7-3-13/h2-3,5-7,9-11H,4,8H2,1H3,(H,25,27)(H,26,28)
InChIKeyCECFKJBTVVNCMZ-UHFFFAOYSA-N
XLogP5.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.82
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide (CID 162493936) is N-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(F)(F)F)cc1CCc1cnc(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of N-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CECFKJBTVVNCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O/c1-12(28)26-18-9-5-15(20(22,23)24)10-14(18)4-8-17-11-25-19(27-17)13-2-6-16(21)7-3-13/h2-3,5-7,9-11H,4,8H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide?
N-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 407.82 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-chlorophenyl)-1H-imidazol-5-yl]ethyl]-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 162493936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).