(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone

C25H22F3N5O2 — CID 134346217

IUPAC(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc2nc(-c3cccnc3)[nH]c2c1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C25H22F3N5O2/c26-25(27,28)35-20-6-3-17(4-7-20)16-32-10-12-33(13-11-32)24(34)18-5-8-21-22(14-18)31-23(30-21)19-2-1-9-29-15-19/h1-9,14-15H,10-13,16H2,(H,30,31)
InChIKeyAZQAQFCRFMLWJN-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.48
Rot. Bonds5

About (2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone

(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 134346217) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is (2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID134346217
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC Name(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc2nc(-c3cccnc3)[nH]c2c1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C25H22F3N5O2/c26-25(27,28)35-20-6-3-17(4-7-20)16-32-10-12-33(13-11-32)24(34)18-5-8-21-22(14-18)31-23(30-21)19-2-1-9-29-15-19/h1-9,14-15H,10-13,16H2,(H,30,31)
InChIKeyAZQAQFCRFMLWJN-UHFFFAOYSA-N
XLogP4.48
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(2-pyridin-2-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 134346209
benzyl 4-(2-pyridin-3-yl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 134346186
[2-(4-ethylpiperazin-1-yl)-2-oxoethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate
CID 23943754
(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone
CID 100580536
3,4-dihydro-1H-isoquinolin-2-yl-(2-pyridin-3-yl-3H-benzimidazol-5-yl)methanone
CID 139983113
(3-phenyl-1,2-oxazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 55646382
[4-(naphthalen-2-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 780116
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51578372
quinolin-5-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 37358886
piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone
CID 155001431
1H-indazol-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 37358947
(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone
CID 110765544

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone (CID 134346217) is (2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone is O=C(c1ccc2nc(-c3cccnc3)[nH]c2c1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of (2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is AZQAQFCRFMLWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c26-25(27,28)35-20-6-3-17(4-7-20)16-32-10-12-33(13-11-32)24(34)18-5-8-21-22(14-18)31-23(30-21)19-2-1-9-29-15-19/h1-9,14-15H,10-13,16H2,(H,30,31).
What are the key properties of (2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone?
(2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 481.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-3-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 134346217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).