piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone

C20H19F3N4O2 — CID 155001431

IUPACpiperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone
SMILESO=C(c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)[nH]c2c1)N1CCCCC1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)29-15-7-5-14(6-8-15)24-19-25-16-9-4-13(12-17(16)26-19)18(28)27-10-2-1-3-11-27/h4-9,12H,1-3,10-11H2,(H2,24,25,26)
InChIKeyYUMVAMQVXJNRMF-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.83
Rot. Bonds4

About piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone

piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone (PubChem CID 155001431) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone
PubChem CID155001431
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Namepiperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone
SMILESO=C(c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)[nH]c2c1)N1CCCCC1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)29-15-7-5-14(6-8-15)24-19-25-16-9-4-13(12-17(16)26-19)18(28)27-10-2-1-3-11-27/h4-9,12H,1-3,10-11H2,(H2,24,25,26)
InChIKeyYUMVAMQVXJNRMF-UHFFFAOYSA-N
XLogP4.83
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]benzoic acid
CID 145066753
1,3-dimethylcyclohexane;methyl 2-[4-(trifluoromethoxy)anilino]-3H-benzimidazole-5-carboxylate
CID 144901716
methyl 2-[methyl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazole-5-carbonyl]amino]acetate
CID 123680659
[2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 145234818
N-cyclopropyl-2-[[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]oxy]acetamide
CID 144901895
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 30684530
(4-pyrrolidin-1-ylpiperidin-1-yl)-[3-[4-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]methanone
CID 59983022
2-fluoro-N-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]benzenesulfinamide
CID 144901772
1,1-dimethylcyclohexane;6-(methylaminosulfanyl)-N-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-amine
CID 144901556
2-(4-tert-butylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563058
1,1-dimethylcyclohexane;methyl 2-[6-fluoro-2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]acetate
CID 144901854
(2-pyridin-2-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 134346209

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone?
The IUPAC name of piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone (CID 155001431) is piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone?
The canonical SMILES for piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone is O=C(c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)[nH]c2c1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone?
The InChIKey is YUMVAMQVXJNRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)29-15-7-5-14(6-8-15)24-19-25-16-9-4-13(12-17(16)26-19)18(28)27-10-2-1-3-11-27/h4-9,12H,1-3,10-11H2,(H2,24,25,26).
What are the key properties of piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone?
piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone has a molecular weight of 404.39 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[2-[4-(trifluoromethoxy)anilino]-3H-benzimidazol-5-yl]methanone is sourced from PubChem (CID 155001431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).