2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide

C21H22F2N4O — CID 17374527

IUPAC2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1c(F)cccc1F
InChIInChI=1S/C21H22F2N4O/c22-15-7-6-8-16(23)19(15)20(28)25-21-24-17-9-2-3-10-18(17)27(21)14-13-26-11-4-1-5-12-26/h2-3,6-10H,1,4-5,11-14H2,(H,24,25,28)
InChIKeyNFDMEABQBSMGAD-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.05
Rot. Bonds5

About 2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide

2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide (PubChem CID 17374527) has the molecular formula C21H22F2N4O and a molecular weight of 384.43 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide
PubChem CID17374527
Molecular FormulaC21H22F2N4O
Molecular Weight384.43 g/mol
Exact Mass384.18
IUPAC Name2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1c(F)cccc1F
InChIInChI=1S/C21H22F2N4O/c22-15-7-6-8-16(23)19(15)20(28)25-21-24-17-9-2-3-10-18(17)27(21)14-13-26-11-4-1-5-12-26/h2-3,6-10H,1,4-5,11-14H2,(H,24,25,28)
InChIKeyNFDMEABQBSMGAD-UHFFFAOYSA-N
XLogP4.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 118725742
N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 19576141
N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
CID 118725842
2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide
CID 35524627
3-ethoxy-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 35592391
1-(4-methoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]urea
CID 39735359
N-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 82359477
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615
5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide
CID 35523435
ethane;N-[1-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-2-yl]-3-nitrobenzamide
CID 159428795
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959274
4-iodo-1-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 1028481

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide (CID 17374527) is 2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide is O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide?
The InChIKey is NFDMEABQBSMGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O/c22-15-7-6-8-16(23)19(15)20(28)25-21-24-17-9-2-3-10-18(17)27(21)14-13-26-11-4-1-5-12-26/h2-3,6-10H,1,4-5,11-14H2,(H,24,25,28).
What are the key properties of 2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide?
2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide has a molecular weight of 384.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 17374527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).