N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide

C20H20N4O2 — CID 86207616

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCC(C(=O)NCCc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H20N4O2/c1-13(24-12-14-6-2-3-7-15(14)20(24)26)19(25)21-11-10-18-22-16-8-4-5-9-17(16)23-18/h2-9,13H,10-12H2,1H3,(H,21,25)(H,22,23)
InChIKeyRUDODNYIAHYWFP-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.27
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 86207616) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID86207616
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCC(C(=O)NCCc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O
InChIInChI=1S/C20H20N4O2/c1-13(24-12-14-6-2-3-7-15(14)20(24)26)19(25)21-11-10-18-22-16-8-4-5-9-17(16)23-18/h2-9,13H,10-12H2,1H3,(H,21,25)(H,22,23)
InChIKeyRUDODNYIAHYWFP-UHFFFAOYSA-N
XLogP2.27
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 124864581
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)pentanamide
CID 21008963
(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 29132743
(2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688940
(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 92721994
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
(2S)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119835126
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 120797230
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide (CID 86207616) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide is CC(C(=O)NCCc1nc2ccccc2[nH]1)N1Cc2ccccc2C1=O.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is RUDODNYIAHYWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(24-12-14-6-2-3-7-15(14)20(24)26)19(25)21-11-10-18-22-16-8-4-5-9-17(16)23-18/h2-9,13H,10-12H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 348.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 86207616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).