N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide

C17H15F2N3O — CID 86912487

IUPACN-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
SMILESO=C(NCCCn1cnc2ccccc21)c1c(F)cccc1F
InChIInChI=1S/C17H15F2N3O/c18-12-5-3-6-13(19)16(12)17(23)20-9-4-10-22-11-21-14-7-1-2-8-15(14)22/h1-3,5-8,11H,4,9-10H2,(H,20,23)
InChIKeyCBMVHIQEUYOBCT-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.13
Rot. Bonds5

About N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide

N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide (PubChem CID 86912487) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
PubChem CID86912487
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
SMILESO=C(NCCCn1cnc2ccccc21)c1c(F)cccc1F
InChIInChI=1S/C17H15F2N3O/c18-12-5-3-6-13(19)16(12)17(23)20-9-4-10-22-11-21-14-7-1-2-8-15(14)22/h1-3,5-8,11H,4,9-10H2,(H,20,23)
InChIKeyCBMVHIQEUYOBCT-UHFFFAOYSA-N
XLogP3.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747
N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17419797
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
N-[3-(benzimidazol-1-yl)propyl]-5-(3,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 91949588
N-[3-(benzimidazol-1-yl)propyl]-4-methylsulfonylbenzamide
CID 51221971
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
N-(benzimidazol-1-ylmethyl)-2-fluorobenzamide
CID 71357542
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528
N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55407936
N-[2-(benzimidazol-1-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47929228
(E)-4-[3-(benzimidazol-1-yl)propylamino]-4-oxobut-2-enoic acid
CID 60940726
N-[3-(benzimidazol-1-yl)propyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 51256035

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide (CID 86912487) is N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide is O=C(NCCCn1cnc2ccccc21)c1c(F)cccc1F.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide?
The InChIKey is CBMVHIQEUYOBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c18-12-5-3-6-13(19)16(12)17(23)20-9-4-10-22-11-21-14-7-1-2-8-15(14)22/h1-3,5-8,11H,4,9-10H2,(H,20,23).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide?
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide has a molecular weight of 315.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide is sourced from PubChem (CID 86912487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).