3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide

C19H16FN3O2 — CID 130245379

IUPAC3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCc1cc2cc(F)ccc2o1
InChIInChI=1S/C19H16FN3O2/c20-13-5-6-17-12(9-13)10-14(25-17)11-21-19(24)8-7-18-22-15-3-1-2-4-16(15)23-18/h1-6,9-10H,7-8,11H2,(H,21,24)(H,22,23)
InChIKeySCRWZBRNVRESRK-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.70
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide (PubChem CID 130245379) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide
PubChem CID130245379
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCc1cc2cc(F)ccc2o1
InChIInChI=1S/C19H16FN3O2/c20-13-5-6-17-12(9-13)10-14(25-17)11-21-19(24)8-7-18-22-15-3-1-2-4-16(15)23-18/h1-6,9-10H,7-8,11H2,(H,21,24)(H,22,23)
InChIKeySCRWZBRNVRESRK-UHFFFAOYSA-N
XLogP3.70
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide (CID 130245379) is 3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide is O=C(CCc1nc2ccccc2[nH]1)NCc1cc2cc(F)ccc2o1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide?
The InChIKey is SCRWZBRNVRESRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-13-5-6-17-12(9-13)10-14(25-17)11-21-19(24)8-7-18-22-15-3-1-2-4-16(15)23-18/h1-6,9-10H,7-8,11H2,(H,21,24)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide has a molecular weight of 337.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide is sourced from PubChem (CID 130245379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).