3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide

C19H17F2N3O3 — CID 130245296

IUPAC3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2[nH]1)c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C19H17F2N3O3/c1-11(12-6-7-15-16(10-12)27-19(20,21)26-15)22-18(25)9-8-17-23-13-4-2-3-5-14(13)24-17/h2-7,10-11H,8-9H2,1H3,(H,22,25)(H,23,24)
InChIKeyOELHCDWNMIVSNP-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.69
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide (PubChem CID 130245296) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide
PubChem CID130245296
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCc1nc2ccccc2[nH]1)c1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C19H17F2N3O3/c1-11(12-6-7-15-16(10-12)27-19(20,21)26-15)22-18(25)9-8-17-23-13-4-2-3-5-14(13)24-17/h2-7,10-11H,8-9H2,1H3,(H,22,25)(H,23,24)
InChIKeyOELHCDWNMIVSNP-UHFFFAOYSA-N
XLogP3.69
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl (2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-phenylacetate
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide (CID 130245296) is 3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide is CC(NC(=O)CCc1nc2ccccc2[nH]1)c1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide?
The InChIKey is OELHCDWNMIVSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-11(12-6-7-15-16(10-12)27-19(20,21)26-15)22-18(25)9-8-17-23-13-4-2-3-5-14(13)24-17/h2-7,10-11H,8-9H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide has a molecular weight of 373.36 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]propanamide is sourced from PubChem (CID 130245296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).