N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide

C25H22N4O3 — CID 11704572

IUPACN-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1
InChIInChI=1S/C25H22N4O3/c1-2-22(30)28-24-26-20-13-12-17(14-21(20)27-24)25(32)19-11-7-6-10-18(19)23(31)29(25)15-16-8-4-3-5-9-16/h3-14,32H,2,15H2,1H3,(H2,26,27,28,30)
InChIKeyVSSRRJPCGBYRMX-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.76
Rot. Bonds5

About N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide

N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide (PubChem CID 11704572) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide
PubChem CID11704572
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1
InChIInChI=1S/C25H22N4O3/c1-2-22(30)28-24-26-20-13-12-17(14-21(20)27-24)25(32)19-11-7-6-10-18(19)23(31)29(25)15-16-8-4-3-5-9-16/h3-14,32H,2,15H2,1H3,(H2,26,27,28,30)
InChIKeyVSSRRJPCGBYRMX-UHFFFAOYSA-N
XLogP3.76
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide?
The IUPAC name of N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide (CID 11704572) is N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide.
What is the SMILES notation for N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide?
The canonical SMILES for N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide is CCC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccccc3)cc2[nH]1.
What is the InChIKey of N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide?
The InChIKey is VSSRRJPCGBYRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-2-22(30)28-24-26-20-13-12-17(14-21(20)27-24)25(32)19-11-7-6-10-18(19)23(31)29(25)15-16-8-4-3-5-9-16/h3-14,32H,2,15H2,1H3,(H2,26,27,28,30).
What are the key properties of N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide?
N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide has a molecular weight of 426.48 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]propanamide is sourced from PubChem (CID 11704572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).