1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide

C19H17BrF2N4O — CID 20882817

IUPAC1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)C1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H17BrF2N4O/c20-13-9-12(21)10-14(22)17(13)25-18(27)11-5-7-26(8-6-11)19-23-15-3-1-2-4-16(15)24-19/h1-4,9-11H,5-8H2,(H,23,24)(H,25,27)
InChIKeyKDIBLOZBJVDAFY-UHFFFAOYSA-N
MW435.27 g/mol
LogP4.46
Rot. Bonds3

About 1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide

1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide (PubChem CID 20882817) has the molecular formula C19H17BrF2N4O and a molecular weight of 435.27 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide
PubChem CID20882817
Molecular FormulaC19H17BrF2N4O
Molecular Weight435.27 g/mol
Exact Mass434.06
IUPAC Name1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1c(F)cc(F)cc1Br)C1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H17BrF2N4O/c20-13-9-12(21)10-14(22)17(13)25-18(27)11-5-7-26(8-6-11)19-23-15-3-1-2-4-16(15)24-19/h1-4,9-11H,5-8H2,(H,23,24)(H,25,27)
InChIKeyKDIBLOZBJVDAFY-UHFFFAOYSA-N
XLogP4.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)piperidine-4-carboxamide
CID 122176153
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
1-(1H-benzimidazol-2-yl)-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 20882807
methyl 6-[[1-(1H-benzimidazol-2-yl)piperidine-4-carbonyl]amino]-1,3-benzodioxole-5-carboxylate
CID 20882818
1-(1H-benzimidazol-2-yl)-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 46358989
1-(1H-benzimidazol-2-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 4130439
1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 84614259
1-(1H-benzimidazol-2-yl)-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 46359001
1-(1H-benzimidazol-2-yl)-N-[2-[bis(2-methylpropyl)amino]ethyl]piperidine-4-carboxamide
CID 122176159
[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 20882839
1-(1H-benzimidazol-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133409751
1-(1H-benzimidazol-2-yl)-N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 6620261

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide (CID 20882817) is 1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide is O=C(Nc1c(F)cc(F)cc1Br)C1CCN(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide?
The InChIKey is KDIBLOZBJVDAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrF2N4O/c20-13-9-12(21)10-14(22)17(13)25-18(27)11-5-7-26(8-6-11)19-23-15-3-1-2-4-16(15)24-19/h1-4,9-11H,5-8H2,(H,23,24)(H,25,27).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide?
1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide has a molecular weight of 435.27 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N-(2-bromo-4,6-difluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 20882817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).