3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide

C13H16N4O3 — CID 107362610

IUPAC3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C13H16N4O3/c14-13(20)11(18)7-15-12(19)5-6-17-8-16-9-3-1-2-4-10(9)17/h1-4,8,11,18H,5-7H2,(H2,14,20)(H,15,19)
InChIKeyMROOWPXSDCZOEO-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.61
Rot. Bonds6

About 3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide

3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide (PubChem CID 107362610) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
PubChem CID107362610
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC(=O)CCn1cnc2ccccc21
InChIInChI=1S/C13H16N4O3/c14-13(20)11(18)7-15-12(19)5-6-17-8-16-9-3-1-2-4-10(9)17/h1-4,8,11,18H,5-7H2,(H2,14,20)(H,15,19)
InChIKeyMROOWPXSDCZOEO-UHFFFAOYSA-N
XLogP-0.61
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanoic acid
CID 66167640
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
3-(benzimidazol-1-yl)-N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]propanamide
CID 97084541
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
3-(benzimidazol-1-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111445290
3-(benzimidazol-1-yl)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65114475
3-(benzimidazol-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)propanamide
CID 111520132
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate
CID 54016386
N-(4-aminophenyl)-3-(benzimidazol-1-yl)propanamide
CID 16781831
2-[3-(benzimidazol-1-yl)propanoylamino]oxyacetic acid
CID 63914686

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide (CID 107362610) is 3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide is NC(=O)C(O)CNC(=O)CCn1cnc2ccccc21.
What is the InChIKey of 3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide?
The InChIKey is MROOWPXSDCZOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c14-13(20)11(18)7-15-12(19)5-6-17-8-16-9-3-1-2-4-10(9)17/h1-4,8,11,18H,5-7H2,(H2,14,20)(H,15,19).
What are the key properties of 3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide?
3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide has a molecular weight of 276.30 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzimidazol-1-yl)propanoylamino]-2-hydroxypropanamide is sourced from PubChem (CID 107362610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).