3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

C15H19N3O3 — CID 103849264

IUPAC3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCC1(O)CCOC1
InChIInChI=1S/C15H19N3O3/c19-14(16-9-15(20)6-8-21-10-15)5-7-18-11-17-12-3-1-2-4-13(12)18/h1-4,11,20H,5-10H2,(H,16,19)
InChIKeyPKNBGEHDUBZMRL-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.69
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide

3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (PubChem CID 103849264) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
PubChem CID103849264
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCC1(O)CCOC1
InChIInChI=1S/C15H19N3O3/c19-14(16-9-15(20)6-8-21-10-15)5-7-18-11-17-12-3-1-2-4-13(12)18/h1-4,11,20H,5-10H2,(H,16,19)
InChIKeyPKNBGEHDUBZMRL-UHFFFAOYSA-N
XLogP0.69
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide (CID 103849264) is 3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is O=C(CCn1cnc2ccccc21)NCC1(O)CCOC1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
The InChIKey is PKNBGEHDUBZMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c19-14(16-9-15(20)6-8-21-10-15)5-7-18-11-17-12-3-1-2-4-13(12)18/h1-4,11,20H,5-10H2,(H,16,19).
What are the key properties of 3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide?
3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide has a molecular weight of 289.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide is sourced from PubChem (CID 103849264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).