3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

C17H14F3N3O2 — CID 36840698

IUPAC3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)25-13-7-5-12(6-8-13)22-16(24)9-10-23-11-21-14-3-1-2-4-15(14)23/h1-8,11H,9-10H2,(H,22,24)
InChIKeyULNLVKKSTWOSSI-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.96
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide

3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 36840698) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID36840698
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F3N3O2/c18-17(19,20)25-13-7-5-12(6-8-13)22-16(24)9-10-23-11-21-14-3-1-2-4-15(14)23/h1-8,11H,9-10H2,(H,22,24)
InChIKeyULNLVKKSTWOSSI-UHFFFAOYSA-N
XLogP3.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
6-(4-oxoquinazolin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 4899813
3-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 36842808
3-(benzimidazol-1-yl)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]propanamide
CID 60553645
3-(4-oxocinnolin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 18097743
2-(1-acetylbenzimidazol-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4284823
3-(benzimidazol-1-yl)-N-[3-(methylcarbamoylamino)phenyl]propanamide
CID 37294247
3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 25390413
3-(benzimidazol-1-yl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide
CID 50765768
3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide
CID 42291468
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5133969
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 36840698) is 3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is O=C(CCn1cnc2ccccc21)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is ULNLVKKSTWOSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c18-17(19,20)25-13-7-5-12(6-8-13)22-16(24)9-10-23-11-21-14-3-1-2-4-15(14)23/h1-8,11H,9-10H2,(H,22,24).
What are the key properties of 3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide?
3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 349.31 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 36840698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).