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

C13H13BrF3N3O — CID 59850200

IUPAC5-bromo-3-piperidin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)c(Br)cc2n1C1CCNCC1
InChIInChI=1S/C13H13BrF3N3O/c14-9-6-11-10(5-8(9)13(15,16)17)19-12(21)20(11)7-1-3-18-4-2-7/h5-7,18H,1-4H2,(H,19,21)
InChIKeyHOQALBISMIJRQL-UHFFFAOYSA-N
MW364.17 g/mol
LogP3.04
Rot. Bonds1

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

5-bromo-3-piperidin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 59850200) has the molecular formula C13H13BrF3N3O and a molecular weight of 364.17 g/mol. Its IUPAC name is 5-bromo-3-piperidin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-3-piperidin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID59850200
Molecular FormulaC13H13BrF3N3O
Molecular Weight364.17 g/mol
Exact Mass363.02
IUPAC Name5-bromo-3-piperidin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)c(Br)cc2n1C1CCNCC1
InChIInChI=1S/C13H13BrF3N3O/c14-9-6-11-10(5-8(9)13(15,16)17)19-12(21)20(11)7-1-3-18-4-2-7/h5-7,18H,1-4H2,(H,19,21)
InChIKeyHOQALBISMIJRQL-UHFFFAOYSA-N
XLogP3.04
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-Bromo-6-methyl-1H-benzo[d]imidazol-2(3H)-one
CID 10105130
5-[1-[(2-Bromophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43751005
N-(4-Bromo-3-methylphenyl)-1H,2H,3H,3AH,4H,5H-pyrrolo[1,2-A]quinoxaline-5-carboxamide
CID 20940351
US11970474, Example 79
CID 149763876
US11970474, Example 74
CID 152438712
1-Benzyl-5-bromo-1H-benzo[d]imidazol-2(3H)-one
CID 10017835
N-[4-bromo-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 45875090
1-(Piperidin-4-yl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-one
CID 13792109
6-bromo-1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-5-(trifluoromethyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 16071133
5-bromo-3-[1-(4-methyloxan-4-yl)piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 16071136
5-bromo-3-[1-(4-propoxycyclohexyl)piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 16742577
3-(3-methylpiperidin-4-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 21500253

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-piperidin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-bromo-3-piperidin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one (CID 59850200) is 5-bromo-3-piperidin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-bromo-3-piperidin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-bromo-3-piperidin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one is O=c1[nH]c2cc(C(F)(F)F)c(Br)cc2n1C1CCNCC1.
What is the InChIKey of 5-bromo-3-piperidin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is HOQALBISMIJRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF3N3O/c14-9-6-11-10(5-8(9)13(15,16)17)19-12(21)20(11)7-1-3-18-4-2-7/h5-7,18H,1-4H2,(H,19,21).
What are the key properties of 5-bromo-3-piperidin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one?
5-bromo-3-piperidin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 364.17 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-piperidin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 59850200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).