(2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide

C17H15N3O3 — CID 39036581

IUPAC(2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)OCO2)n1cnc2ccccc21
InChIInChI=1S/C17H15N3O3/c1-11(20-9-18-13-4-2-3-5-14(13)20)17(21)19-12-6-7-15-16(8-12)23-10-22-15/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyVBMSJLKEOJPHDQ-LLVKDONJSA-N
MW309.33 g/mol
LogP2.96
Rot. Bonds3

About (2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide

(2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide (PubChem CID 39036581) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide
PubChem CID39036581
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)OCO2)n1cnc2ccccc21
InChIInChI=1S/C17H15N3O3/c1-11(20-9-18-13-4-2-3-5-14(13)20)17(21)19-12-6-7-15-16(8-12)23-10-22-15/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyVBMSJLKEOJPHDQ-LLVKDONJSA-N
XLogP2.96
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(benzimidazol-1-yl)-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]propanamide
CID 52535794
(2R)-2-(benzimidazol-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 39059697
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
CID 42893030
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide
CID 7632540
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
(2S)-N-(1,3-benzodioxol-5-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide
CID 2617616
N-(1,3-benzodioxol-5-yl)-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028639
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
2-(benzimidazol-1-yl)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 48507866
(2R)-N-(1,3-benzodioxol-5-yl)-2-chloro-2-phenylacetamide
CID 93239229
2-(benzotriazol-1-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17403666

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide?
The IUPAC name of (2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide (CID 39036581) is (2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide is C[C@H](C(=O)Nc1ccc2c(c1)OCO2)n1cnc2ccccc21.
What is the InChIKey of (2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide?
The InChIKey is VBMSJLKEOJPHDQ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11(20-9-18-13-4-2-3-5-14(13)20)17(21)19-12-6-7-15-16(8-12)23-10-22-15/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m1/s1.
What are the key properties of (2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide?
(2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide has a molecular weight of 309.33 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzimidazol-1-yl)-N-(1,3-benzodioxol-5-yl)propanamide is sourced from PubChem (CID 39036581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).