N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

C25H23F3N6O — CID 58279080

IUPACN-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCNCC2)n1)c1cccc2[nH]c(-c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C25H23F3N6O/c26-25(27,28)19-8-2-1-6-17(19)23-31-20-9-4-7-18(22(20)33-23)24(35)32-21-10-3-5-16(30-21)15-34-13-11-29-12-14-34/h1-10,29H,11-15H2,(H,31,33)(H,30,32,35)
InChIKeyGKVMATMUCLMWTH-UHFFFAOYSA-N
MW480.49 g/mol
LogP4.30
Rot. Bonds5

About N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 58279080) has the molecular formula C25H23F3N6O and a molecular weight of 480.49 g/mol. Its IUPAC name is N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID58279080
Molecular FormulaC25H23F3N6O
Molecular Weight480.49 g/mol
Exact Mass480.19
IUPAC NameN-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCNCC2)n1)c1cccc2[nH]c(-c3ccccc3C(F)(F)F)nc12
InChIInChI=1S/C25H23F3N6O/c26-25(27,28)19-8-2-1-6-17(19)23-31-20-9-4-7-18(22(20)33-23)24(35)32-21-10-3-5-16(30-21)15-34-13-11-29-12-14-34/h1-10,29H,11-15H2,(H,31,33)(H,30,32,35)
InChIKeyGKVMATMUCLMWTH-UHFFFAOYSA-N
XLogP4.30
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide 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 N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 58279080) is N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is O=C(Nc1cccc(CN2CCNCC2)n1)c1cccc2[nH]c(-c3ccccc3C(F)(F)F)nc12.
What is the InChIKey of N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is GKVMATMUCLMWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O/c26-25(27,28)19-8-2-1-6-17(19)23-31-20-9-4-7-18(22(20)33-23)24(35)32-21-10-3-5-16(30-21)15-34-13-11-29-12-14-34/h1-10,29H,11-15H2,(H,31,33)(H,30,32,35).
What are the key properties of N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 480.49 g/mol, XLogP of 4.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).