6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one

C13H13ClF3N3O — CID 59850158

IUPAC6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)c(C(F)(F)F)cc2n1C1CCNCC1
InChIInChI=1S/C13H13ClF3N3O/c14-9-6-10-11(5-8(9)13(15,16)17)20(12(21)19-10)7-1-3-18-4-2-7/h5-7,18H,1-4H2,(H,19,21)
InChIKeyRSIAXUCJPORFRK-UHFFFAOYSA-N
MW319.71 g/mol
LogP2.93
Rot. Bonds1

About 6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one

6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 59850158) has the molecular formula C13H13ClF3N3O and a molecular weight of 319.71 g/mol. Its IUPAC name is 6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID59850158
Molecular FormulaC13H13ClF3N3O
Molecular Weight319.71 g/mol
Exact Mass319.07
IUPAC Name6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)c(C(F)(F)F)cc2n1C1CCNCC1
InChIInChI=1S/C13H13ClF3N3O/c14-9-6-10-11(5-8(9)13(15,16)17)20(12(21)19-10)7-1-3-18-4-2-7/h5-7,18H,1-4H2,(H,19,21)
InChIKeyRSIAXUCJPORFRK-UHFFFAOYSA-N
XLogP2.93
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.71
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-nitro-3-piperidin-4-yl-1H-benzimidazol-2-one;nitric acid
CID 172968720
6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 70537571
6-fluoro-5-methyl-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 59850210
6-fluoro-3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 22380614
4-[4-[6-chloro-2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]oxane-4-carbonitrile
CID 59850159
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288
6-fluoro-2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;hydrochloride
CID 118209242
1-(1-methylpiperidin-4-yl)-2-oxo-6-(trifluoromethyl)-3H-benzimidazole-5-carbonitrile
CID 168926229
2-oxo-1-piperidin-4-yl-3H-benzimidazole-5-carbonitrile;2,2,2-trifluoroacetic acid
CID 172967774
5-methoxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 22928792
3-cyclopropyl-5,6-difluoro-1H-benzimidazol-2-one
CID 66693552
5-chloro-3-[1-(oxan-4-yl)piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one;6-methoxy-5-methyl-3-[1-(oxan-4-yl)piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride
CID 173141309

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one (CID 59850158) is 6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one is O=c1[nH]c2cc(Cl)c(C(F)(F)F)cc2n1C1CCNCC1.
What is the InChIKey of 6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is RSIAXUCJPORFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O/c14-9-6-10-11(5-8(9)13(15,16)17)20(12(21)19-10)7-1-3-18-4-2-7/h5-7,18H,1-4H2,(H,19,21).
What are the key properties of 6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one?
6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 319.71 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-piperidin-4-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 59850158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).