3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide

C19H17F3N4O — CID 2322903

IUPAC3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide
SMILESCN(C)c1cccc(C(=O)N/C=C/n2cnc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C19H17F3N4O/c1-25(2)15-5-3-4-13(10-15)18(27)23-8-9-26-12-24-16-11-14(19(20,21)22)6-7-17(16)26/h3-12H,1-2H3,(H,23,27)/b9-8+
InChIKeyNKVLEEPTXGKSIC-CMDGGOBGSA-N
MW374.37 g/mol
LogP3.98
Rot. Bonds4

About 3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide

3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide (PubChem CID 2322903) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide
PubChem CID2322903
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide
SMILESCN(C)c1cccc(C(=O)N/C=C/n2cnc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C19H17F3N4O/c1-25(2)15-5-3-4-13(10-15)18(27)23-8-9-26-12-24-16-11-14(19(20,21)22)6-7-17(16)26/h3-12H,1-2H3,(H,23,27)/b9-8+
InChIKeyNKVLEEPTXGKSIC-CMDGGOBGSA-N
XLogP3.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide (CID 2322903) is 3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide is CN(C)c1cccc(C(=O)N/C=C/n2cnc3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide?
The InChIKey is NKVLEEPTXGKSIC-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-25(2)15-5-3-4-13(10-15)18(27)23-8-9-26-12-24-16-11-14(19(20,21)22)6-7-17(16)26/h3-12H,1-2H3,(H,23,27)/b9-8+.
What are the key properties of 3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide?
3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide has a molecular weight of 374.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]benzamide is sourced from PubChem (CID 2322903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).