4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide

C25H24F3N5O3 — CID 150717959

IUPAC4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(-n2cnc3cc(-c4ccc(N(C)C)nc4)ccc32)cc(OC)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C25H24F3N5O3/c1-32(2)22-8-6-16(12-29-22)15-5-7-19-18(9-15)31-14-33(19)17-10-20(35-3)23(21(11-17)36-4)24(34)30-13-25(26,27)28/h5-12,14H,13H2,1-4H3,(H,30,34)
InChIKeyJPGROMNRJBWLJY-UHFFFAOYSA-N
MW499.49 g/mol
LogP4.46
Rot. Bonds7

About 4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide

4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 150717959) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is 4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID150717959
Molecular FormulaC25H24F3N5O3
Molecular Weight499.49 g/mol
Exact Mass499.18
IUPAC Name4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(-n2cnc3cc(-c4ccc(N(C)C)nc4)ccc32)cc(OC)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C25H24F3N5O3/c1-32(2)22-8-6-16(12-29-22)15-5-7-19-18(9-15)31-14-33(19)17-10-20(35-3)23(21(11-17)36-4)24(34)30-13-25(26,27)28/h5-12,14H,13H2,1-4H3,(H,30,34)
InChIKeyJPGROMNRJBWLJY-UHFFFAOYSA-N
XLogP4.46
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 150717959) is 4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide is COc1cc(-n2cnc3cc(-c4ccc(N(C)C)nc4)ccc32)cc(OC)c1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is JPGROMNRJBWLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O3/c1-32(2)22-8-6-16(12-29-22)15-5-7-19-18(9-15)31-14-33(19)17-10-20(35-3)23(21(11-17)36-4)24(34)30-13-25(26,27)28/h5-12,14H,13H2,1-4H3,(H,30,34).
What are the key properties of 4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 499.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-(dimethylamino)-3-pyridinyl]benzimidazol-1-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 150717959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).