6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine

C22H22BrF3N6O2 — CID 155729865

IUPAC6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine
SMILESCN1CCCCC1.O=c1[nH]c2cc(Br)c(F)cc2n1Cc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C16H9BrF3N5O2.C6H13N/c17-9-3-11-12(4-10(9)18)25(16(26)22-11)6-8-2-1-7(5-21-8)14-23-24-15(27-14)13(19)20;1-7-5-3-2-4-6-7/h1-5,13H,6H2,(H,22,26);2-6H2,1H3
InChIKeyQFJFFBUFQHLMMO-UHFFFAOYSA-N
MW539.36 g/mol
LogP4.76
Rot. Bonds4

About 6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine

6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine (PubChem CID 155729865) has the molecular formula C22H22BrF3N6O2 and a molecular weight of 539.36 g/mol. Its IUPAC name is 6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine.

Molecular Properties

Compound Name6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine
PubChem CID155729865
Molecular FormulaC22H22BrF3N6O2
Molecular Weight539.36 g/mol
Exact Mass538.09
IUPAC Name6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine
SMILESCN1CCCCC1.O=c1[nH]c2cc(Br)c(F)cc2n1Cc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C16H9BrF3N5O2.C6H13N/c17-9-3-11-12(4-10(9)18)25(16(26)22-11)6-8-2-1-7(5-21-8)14-23-24-15(27-14)13(19)20;1-7-5-3-2-4-6-7/h1-5,13H,6H2,(H,22,26);2-6H2,1H3
InChIKeyQFJFFBUFQHLMMO-UHFFFAOYSA-N
XLogP4.76
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.36
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine 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

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-(1H-indol-4-yl)-1H-benzimidazol-2-one;1-methylpiperidine
CID 155729637
5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-pyrrolidin-3-yl]benzimidazol-2-one
CID 155341886
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzimidazol-2-one
CID 155729347
5-bromo-1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-[(3R)-1-(oxetan-3-yl)piperidin-3-yl]benzimidazol-2-one
CID 155757467
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-(4-propan-2-ylpiperazin-1-yl)benzimidazol-2-one
CID 155730017
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-6-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzoxazol-2-one
CID 155730001
3-[6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-2-oxobenzimidazol-1-yl]pyrrolidine-1-carboxylic acid
CID 175205049
tert-butyl 4-[[6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-2-oxobenzimidazol-1-yl]methyl]piperidine-1-carboxylate
CID 155341669
7-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-methylquinazoline-2,4-dione
CID 155365671
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-(1-methylpiperidin-3-yl)-5-pyridin-4-ylbenzimidazol-2-one
CID 175214899
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-methyl-5-(2-methyl-1H-indol-6-yl)benzimidazol-2-one
CID 167419709
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]benzimidazol-2-one
CID 155729324

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine?
The IUPAC name of 6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine (CID 155729865) is 6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine.
What is the SMILES notation for 6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine?
The canonical SMILES for 6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine is CN1CCCCC1.O=c1[nH]c2cc(Br)c(F)cc2n1Cc1ccc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine?
The InChIKey is QFJFFBUFQHLMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF3N5O2.C6H13N/c17-9-3-11-12(4-10(9)18)25(16(26)22-11)6-8-2-1-7(5-21-8)14-23-24-15(27-14)13(19)20;1-7-5-3-2-4-6-7/h1-5,13H,6H2,(H,22,26);2-6H2,1H3.
What are the key properties of 6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine?
6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine has a molecular weight of 539.36 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-5-fluoro-1H-benzimidazol-2-one;1-methylpiperidine is sourced from PubChem (CID 155729865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).