3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide

C13H17N3O2 — CID 83031876

IUPAC3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
SMILESC[C@@H](O)CNC(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O2/c1-9(17)8-14-13(18)7-6-12-15-10-4-2-3-5-11(10)16-12/h2-5,9,17H,6-8H2,1H3,(H,14,18)(H,15,16)/t9-/m1/s1
InChIKeyYZVSPQKPAHWRNO-SECBINFHSA-N
MW247.30 g/mol
LogP0.99
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide (PubChem CID 83031876) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
PubChem CID83031876
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
SMILESC[C@@H](O)CNC(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O2/c1-9(17)8-14-13(18)7-6-12-15-10-4-2-3-5-11(10)16-12/h2-5,9,17H,6-8H2,1H3,(H,14,18)(H,15,16)/t9-/m1/s1
InChIKeyYZVSPQKPAHWRNO-SECBINFHSA-N
XLogP0.99
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 35955679
3-(1H-benzimidazol-2-yl)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103770477
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide
CID 94026684
2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43353591
3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 155949013
(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoic acid
CID 61136264
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172764
3-(1H-benzimidazol-2-yl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]propanamide
CID 51113520
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 43045567
3-(1H-benzimidazol-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725840

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide (CID 83031876) is 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide is C[C@@H](O)CNC(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide?
The InChIKey is YZVSPQKPAHWRNO-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(17)8-14-13(18)7-6-12-15-10-4-2-3-5-11(10)16-12/h2-5,9,17H,6-8H2,1H3,(H,14,18)(H,15,16)/t9-/m1/s1.
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide has a molecular weight of 247.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 83031876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).