methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

C23H24N4O5 — CID 67334473

IUPACmethyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
SMILESCOC(=O)C(CCC(N)=O)N1Cc2c(OCc3nc4ccccc4n3C)cccc2C1=O
InChIInChI=1S/C23H24N4O5/c1-26-17-8-4-3-7-16(17)25-21(26)13-32-19-9-5-6-14-15(19)12-27(22(14)29)18(23(30)31-2)10-11-20(24)28/h3-9,18H,10-13H2,1-2H3,(H2,24,28)
InChIKeyUUQSMMFPPWGPQX-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.92
Rot. Bonds8

About methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate

methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate (PubChem CID 67334473) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
PubChem CID67334473
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Namemethyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
SMILESCOC(=O)C(CCC(N)=O)N1Cc2c(OCc3nc4ccccc4n3C)cccc2C1=O
InChIInChI=1S/C23H24N4O5/c1-26-17-8-4-3-7-16(17)25-21(26)13-32-19-9-5-6-14-15(19)12-27(22(14)29)18(23(30)31-2)10-11-20(24)28/h3-9,18H,10-13H2,1-2H3,(H2,24,28)
InChIKeyUUQSMMFPPWGPQX-UHFFFAOYSA-N
XLogP1.92
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate with MolForge

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Related Compounds

methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate
CID 67334661
5-amino-2-[7-[(4-carbamoylphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid
CID 67332725
5-amino-2-[7-[[4-[[bis(2-methoxyethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid
CID 67336503
butyl 5-amino-2-[7-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 175766265
methyl 5-amino-4-[7-[[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 67334668
5-amino-2-(7-methyl-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid
CID 22612832
methyl 5-amino-5-oxo-4-[3-oxo-7-[[4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]pentanoate
CID 67332761
methyl 5-amino-4-[7-[[4-[(oxan-4-ylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 67332612
methyl 5-amino-4-[7-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 67334494
1-[3-methoxy-4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]ethanone
CID 51103696
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093
methyl 5-amino-5-oxo-4-[3-oxo-7-[[4-(4-phenylpiperazin-1-yl)sulfonylphenyl]methoxy]-1H-isoindol-2-yl]pentanoate
CID 67334099

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate?
The IUPAC name of methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate (CID 67334473) is methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate.
What is the SMILES notation for methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate?
The canonical SMILES for methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate is COC(=O)C(CCC(N)=O)N1Cc2c(OCc3nc4ccccc4n3C)cccc2C1=O.
What is the InChIKey of methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate?
The InChIKey is UUQSMMFPPWGPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-26-17-8-4-3-7-16(17)25-21(26)13-32-19-9-5-6-14-15(19)12-27(22(14)29)18(23(30)31-2)10-11-20(24)28/h3-9,18H,10-13H2,1-2H3,(H2,24,28).
What are the key properties of methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate?
methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate has a molecular weight of 436.47 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[7-[(1-methylbenzimidazol-2-yl)methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate is sourced from PubChem (CID 67334473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).