N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide

C25H20F3N3O — CID 23120588

IUPACN-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc2nc3c(n2c1)CCCC3)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H20F3N3O/c26-25(27,28)19-11-9-17(10-12-19)16-5-7-18(8-6-16)24(32)29-20-13-14-23-30-21-3-1-2-4-22(21)31(23)15-20/h5-15H,1-4H2,(H,29,32)
InChIKeyXYEIXRPOPXMCEC-UHFFFAOYSA-N
MW435.45 g/mol
LogP6.15
Rot. Bonds3

About N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide

N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 23120588) has the molecular formula C25H20F3N3O and a molecular weight of 435.45 g/mol. Its IUPAC name is N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID23120588
Molecular FormulaC25H20F3N3O
Molecular Weight435.45 g/mol
Exact Mass435.16
IUPAC NameN-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc2nc3c(n2c1)CCCC3)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H20F3N3O/c26-25(27,28)19-11-9-17(10-12-19)16-5-7-18(8-6-16)24(32)29-20-13-14-23-30-21-3-1-2-4-22(21)31(23)15-20/h5-15H,1-4H2,(H,29,32)
InChIKeyXYEIXRPOPXMCEC-UHFFFAOYSA-N
XLogP6.15
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide (CID 23120588) is N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc2nc3c(n2c1)CCCC3)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XYEIXRPOPXMCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O/c26-25(27,28)19-11-9-17(10-12-19)16-5-7-18(8-6-16)24(32)29-20-13-14-23-30-21-3-1-2-4-22(21)31(23)15-20/h5-15H,1-4H2,(H,29,32).
What are the key properties of N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 435.45 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9-tetrahydropyrido[1,2-a]benzimidazol-2-yl)-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 23120588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).