N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide

C24H28N4O2 — CID 125400617

IUPACN-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
SMILESCC(C)[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C24H28N4O2/c1-14(2)22(23-25-18-11-7-8-12-20(18)28(23)15(3)4)27-21(29)13-19-16-9-5-6-10-17(16)24(30)26-19/h5-12,14-15,19,22H,13H2,1-4H3,(H,26,30)(H,27,29)/t19-,22-/m1/s1
InChIKeyLQZOPWYDBALQOJ-DENIHFKCSA-N
MW404.51 g/mol
LogP4.31
Rot. Bonds6

About N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide

N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide (PubChem CID 125400617) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
PubChem CID125400617
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
SMILESCC(C)[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C24H28N4O2/c1-14(2)22(23-25-18-11-7-8-12-20(18)28(23)15(3)4)27-21(29)13-19-16-9-5-6-10-17(16)24(30)26-19/h5-12,14-15,19,22H,13H2,1-4H3,(H,26,30)(H,27,29)/t19-,22-/m1/s1
InChIKeyLQZOPWYDBALQOJ-DENIHFKCSA-N
XLogP4.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The IUPAC name of N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide (CID 125400617) is N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The canonical SMILES for N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide is CC(C)[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1nc2ccccc2n1C(C)C.
What is the InChIKey of N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
The InChIKey is LQZOPWYDBALQOJ-DENIHFKCSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-14(2)22(23-25-18-11-7-8-12-20(18)28(23)15(3)4)27-21(29)13-19-16-9-5-6-10-17(16)24(30)26-19/h5-12,14-15,19,22H,13H2,1-4H3,(H,26,30)(H,27,29)/t19-,22-/m1/s1.
What are the key properties of N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide?
N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide is sourced from PubChem (CID 125400617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).