4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate

C14H12ClF3N3O3- — CID 151127669

IUPAC4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(n2c(=O)n(C(F)(F)F)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C14H13ClF3N3O3/c15-8-1-2-10-11(7-8)21(14(16,17)18)12(22)20(10)9-3-5-19(6-4-9)13(23)24/h1-2,7,9H,3-6H2,(H,23,24)/p-1
InChIKeyMTNWCFSVGSXZPU-UHFFFAOYSA-M
MW362.72 g/mol
LogP1.91
Rot. Bonds1

About 4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate

4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate (PubChem CID 151127669) has the molecular formula C14H12ClF3N3O3- and a molecular weight of 362.72 g/mol. Its IUPAC name is 4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate
PubChem CID151127669
Molecular FormulaC14H12ClF3N3O3-
Molecular Weight362.72 g/mol
Exact Mass362.05
IUPAC Name4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate
SMILESO=C([O-])N1CCC(n2c(=O)n(C(F)(F)F)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C14H13ClF3N3O3/c15-8-1-2-10-11(7-8)21(14(16,17)18)12(22)20(10)9-3-5-19(6-4-9)13(23)24/h1-2,7,9H,3-6H2,(H,23,24)/p-1
InChIKeyMTNWCFSVGSXZPU-UHFFFAOYSA-M
XLogP1.91
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.72
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44589500
6-chloro-3-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one;2,2,2-trifluoroacetic acid
CID 53470056
5-chloro-1-[1-[2-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]propyl]piperidin-4-yl]-3-methylbenzimidazol-2-one
CID 10280201
4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid
CID 130423889
2-[4-[4-[5-chloro-2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]piperidin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride
CID 18695974
5-chloro-1-(fluoromethyl)-3-piperidin-4-ylbenzimidazol-2-one;hydrochloride
CID 69190263
tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate
CID 176901245
6-chloro-3-[1-(furan-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968093
6-chloro-3-[1-(2-phenylacetyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968181
4-(4-hydroxy-2-oxo-3H-imidazo[4,5-b]pyridin-4-ium-1-yl)piperidine-1-carboxylate
CID 66939387
6-chloro-3-[1-(4-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968198
1-[1-[4-(5-chloro-1,1-dioxo-3H-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)benzimidazol-2-one
CID 86755581

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of 4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate (CID 151127669) is 4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for 4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for 4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate is O=C([O-])N1CCC(n2c(=O)n(C(F)(F)F)c3cc(Cl)ccc32)CC1.
What is the InChIKey of 4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate?
The InChIKey is MTNWCFSVGSXZPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13ClF3N3O3/c15-8-1-2-10-11(7-8)21(14(16,17)18)12(22)20(10)9-3-5-19(6-4-9)13(23)24/h1-2,7,9H,3-6H2,(H,23,24)/p-1.
What are the key properties of 4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate?
4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate has a molecular weight of 362.72 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-oxo-3-(trifluoromethyl)benzimidazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 151127669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).