2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide

C12H15N3O3 — CID 65315452

IUPAC2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide
SMILESO=C(Cn1cnc2ccccc21)NC(CO)CO
InChIInChI=1S/C12H15N3O3/c16-6-9(7-17)14-12(18)5-15-8-13-10-3-1-2-4-11(10)15/h1-4,8-9,16-17H,5-7H2,(H,14,18)
InChIKeyOGDRGHKTIZYHAI-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.49
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide

2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide (PubChem CID 65315452) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide
PubChem CID65315452
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide
SMILESO=C(Cn1cnc2ccccc21)NC(CO)CO
InChIInChI=1S/C12H15N3O3/c16-6-9(7-17)14-12(18)5-15-8-13-10-3-1-2-4-11(10)15/h1-4,8-9,16-17H,5-7H2,(H,14,18)
InChIKeyOGDRGHKTIZYHAI-UHFFFAOYSA-N
XLogP-0.49
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
4-[[2-(benzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 81064314
(2S)-2-[[2-(benzimidazol-1-yl)acetyl]amino]-N-methylbutanediamide
CID 58709539
2-(benzimidazol-1-yl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62521113
(2S)-4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107833952
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 51646878
2-(benzimidazol-1-yl)-N-(3-phenylphenyl)acetamide;hydrochloride
CID 66899593
4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538626
2-(benzimidazol-1-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362366
2-(benzimidazol-1-yl)-N-[2-(3-chlorophenyl)propan-2-yl]acetamide
CID 110445551

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide (CID 65315452) is 2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide is O=C(Cn1cnc2ccccc21)NC(CO)CO.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide?
The InChIKey is OGDRGHKTIZYHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-6-9(7-17)14-12(18)5-15-8-13-10-3-1-2-4-11(10)15/h1-4,8-9,16-17H,5-7H2,(H,14,18).
What are the key properties of 2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide?
2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide has a molecular weight of 249.27 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(1,3-dihydroxypropan-2-yl)acetamide is sourced from PubChem (CID 65315452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).