N-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide

C21H17Cl2F3N4O2 — CID 171320870

IUPACN-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)CC1
InChIInChI=1S/C21H17Cl2F3N4O2/c22-14-3-2-13(10-15(14)23)27-18(31)11-5-7-30(8-6-11)19(32)12-1-4-16-17(9-12)29-20(28-16)21(24,25)26/h1-4,9-11H,5-8H2,(H,27,31)(H,28,29)
InChIKeyBWGGCNGCCZVCSF-UHFFFAOYSA-N
MW485.29 g/mol
LogP5.38
Rot. Bonds3

About N-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide

N-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 171320870) has the molecular formula C21H17Cl2F3N4O2 and a molecular weight of 485.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide
PubChem CID171320870
Molecular FormulaC21H17Cl2F3N4O2
Molecular Weight485.29 g/mol
Exact Mass484.07
IUPAC NameN-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)CC1
InChIInChI=1S/C21H17Cl2F3N4O2/c22-14-3-2-13(10-15(14)23)27-18(31)11-5-7-30(8-6-11)19(32)12-1-4-16-17(9-12)29-20(28-16)21(24,25)26/h1-4,9-11H,5-8H2,(H,27,31)(H,28,29)
InChIKeyBWGGCNGCCZVCSF-UHFFFAOYSA-N
XLogP5.38
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.29
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 1003994
1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55955366
N-(3-chloro-4-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 17223687
N-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 112506999
1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 99816380
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55848768
1-N-[1-(1H-benzimidazol-2-yl)ethyl]-4-N-(3,4-dichlorophenyl)piperidine-1,4-dicarboxamide
CID 171336437
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide (CID 171320870) is N-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is BWGGCNGCCZVCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2F3N4O2/c22-14-3-2-13(10-15(14)23)27-18(31)11-5-7-30(8-6-11)19(32)12-1-4-16-17(9-12)29-20(28-16)21(24,25)26/h1-4,9-11H,5-8H2,(H,27,31)(H,28,29).
What are the key properties of N-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide?
N-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 485.29 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-[2-(trifluoromethyl)-3H-benzimidazole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 171320870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).