2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide

C20H18N4O2 — CID 71939914

IUPAC2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
SMILESCC(C(=O)NCc1cc(-c2ccccc2)no1)n1cnc2ccccc21
InChIInChI=1S/C20H18N4O2/c1-14(24-13-22-17-9-5-6-10-19(17)24)20(25)21-12-16-11-18(23-26-16)15-7-3-2-4-8-15/h2-11,13-14H,12H2,1H3,(H,21,25)
InChIKeyBDMRYHQGKPRSID-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.57
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide

2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide (PubChem CID 71939914) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
PubChem CID71939914
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide
SMILESCC(C(=O)NCc1cc(-c2ccccc2)no1)n1cnc2ccccc21
InChIInChI=1S/C20H18N4O2/c1-14(24-13-22-17-9-5-6-10-19(17)24)20(25)21-12-16-11-18(23-26-16)15-7-3-2-4-8-15/h2-11,13-14H,12H2,1H3,(H,21,25)
InChIKeyBDMRYHQGKPRSID-UHFFFAOYSA-N
XLogP3.57
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(benzimidazol-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 129397081
N-[2-[2-(benzimidazol-1-yl)propanoylamino]ethyl]benzamide
CID 42959454
(2R)-2-(benzimidazol-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 95148434
(2S)-2-(benzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 39041110
2-(benzimidazol-1-yl)-N-(2-hydroxypentyl)propanamide
CID 115700986
2-(benzimidazol-1-yl)-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]propanamide
CID 90650920
(2S)-2-(benzimidazol-1-yl)-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]propanamide
CID 99974414
N-benzhydryl-2-(benzimidazol-1-yl)propanamide
CID 112781098
2-(benzimidazol-1-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propanamide
CID 56915831
2-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)propanamide
CID 75679386
2-(benzimidazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
CID 115968731
benzyl 2-[2-(benzimidazol-1-yl)propanoylamino]acetate
CID 43063893

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide (CID 71939914) is 2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide is CC(C(=O)NCc1cc(-c2ccccc2)no1)n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide?
The InChIKey is BDMRYHQGKPRSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14(24-13-22-17-9-5-6-10-19(17)24)20(25)21-12-16-11-18(23-26-16)15-7-3-2-4-8-15/h2-11,13-14H,12H2,1H3,(H,21,25).
What are the key properties of 2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide?
2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide has a molecular weight of 346.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanamide is sourced from PubChem (CID 71939914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).