(2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide

C24H28N4O2 — CID 124864581

IUPAC(2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESC[C@H](C(=O)NCCCCCc1nc2ccccc2n1C)N1Cc2ccccc2C1=O
InChIInChI=1S/C24H28N4O2/c1-17(28-16-18-10-5-6-11-19(18)24(28)30)23(29)25-15-9-3-4-14-22-26-20-12-7-8-13-21(20)27(22)2/h5-8,10-13,17H,3-4,9,14-16H2,1-2H3,(H,25,29)/t17-/m1/s1
InChIKeyZAUHWCMSARVNKA-QGZVFWFLSA-N
MW404.51 g/mol
LogP3.45
Rot. Bonds8

About (2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide

(2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 124864581) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is (2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID124864581
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name(2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESC[C@H](C(=O)NCCCCCc1nc2ccccc2n1C)N1Cc2ccccc2C1=O
InChIInChI=1S/C24H28N4O2/c1-17(28-16-18-10-5-6-11-19(18)24(28)30)23(29)25-15-9-3-4-14-22-26-20-12-7-8-13-21(20)27(22)2/h5-8,10-13,17H,3-4,9,14-16H2,1-2H3,(H,25,29)/t17-/m1/s1
InChIKeyZAUHWCMSARVNKA-QGZVFWFLSA-N
XLogP3.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 71829789
4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide
CID 121239237
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 95630274
2-(2-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993642
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 56792618
(2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688940
2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993804
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 118771504
3-amino-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119889914
1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50970727
(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide
CID 124756311

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of (2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide (CID 124864581) is (2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for (2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide is C[C@H](C(=O)NCCCCCc1nc2ccccc2n1C)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is ZAUHWCMSARVNKA-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17(28-16-18-10-5-6-11-19(18)24(28)30)23(29)25-15-9-3-4-14-22-26-20-12-7-8-13-21(20)27(22)2/h5-8,10-13,17H,3-4,9,14-16H2,1-2H3,(H,25,29)/t17-/m1/s1.
What are the key properties of (2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
(2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 404.51 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 124864581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).