3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide

C21H20N4O3 — CID 110204352

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
SMILESCC(C)c1nc2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2[nH]1
InChIInChI=1S/C21H20N4O3/c1-12(2)19-23-16-8-7-13(11-17(16)24-19)22-18(26)9-10-25-20(27)14-5-3-4-6-15(14)21(25)28/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyGXACKNMXDGPNNX-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.31
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide

3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide (PubChem CID 110204352) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
PubChem CID110204352
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
SMILESCC(C)c1nc2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2[nH]1
InChIInChI=1S/C21H20N4O3/c1-12(2)19-23-16-8-7-13(11-17(16)24-19)22-18(26)9-10-25-20(27)14-5-3-4-6-15(14)21(25)28/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyGXACKNMXDGPNNX-UHFFFAOYSA-N
XLogP3.31
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 47825937
3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
CID 110209820
2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110778994
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
CID 71706475
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide
CID 131908353
(2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide
CID 110205676
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
2-(2-propan-2-yl-3H-benzimidazol-5-yl)isoindole-1,3-dione
CID 168516683
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110642564
N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1300800
N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867506
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 118985729

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide (CID 110204352) is 3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide is CC(C)c1nc2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2[nH]1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide?
The InChIKey is GXACKNMXDGPNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-12(2)19-23-16-8-7-13(11-17(16)24-19)22-18(26)9-10-25-20(27)14-5-3-4-6-15(14)21(25)28/h3-8,11-12H,9-10H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 376.42 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 110204352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).