N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

C32H32N4O4 — CID 130311972

IUPACN-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2c(OCc3ccc(Cn4cc(-c5ccccc5)nc4C)cc3)cccc2C1=O
InChIInChI=1S/C32H32N4O4/c1-22-34-28(25-8-4-3-5-9-25)20-35(22)18-23-13-15-24(16-14-23)21-40-30-12-6-10-26-27(30)19-36(32(26)39)29(11-7-17-37)31(38)33-2/h3-6,8-10,12-17,20,29H,7,11,18-19,21H2,1-2H3,(H,33,38)
InChIKeySVWKMVPURXJIQO-UHFFFAOYSA-N
MW536.63 g/mol
LogP4.54
Rot. Bonds11

About N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide (PubChem CID 130311972) has the molecular formula C32H32N4O4 and a molecular weight of 536.63 g/mol. Its IUPAC name is N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
PubChem CID130311972
Molecular FormulaC32H32N4O4
Molecular Weight536.63 g/mol
Exact Mass536.24
IUPAC NameN-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2c(OCc3ccc(Cn4cc(-c5ccccc5)nc4C)cc3)cccc2C1=O
InChIInChI=1S/C32H32N4O4/c1-22-34-28(25-8-4-3-5-9-25)20-35(22)18-23-13-15-24(16-14-23)21-40-30-12-6-10-26-27(30)19-36(32(26)39)29(11-7-17-37)31(38)33-2/h3-6,8-10,12-17,20,29H,7,11,18-19,21H2,1-2H3,(H,33,38)
InChIKeySVWKMVPURXJIQO-UHFFFAOYSA-N
XLogP4.54
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The IUPAC name of N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide (CID 130311972) is N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide.
What is the SMILES notation for N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The canonical SMILES for N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide is CNC(=O)C(CCC=O)N1Cc2c(OCc3ccc(Cn4cc(-c5ccccc5)nc4C)cc3)cccc2C1=O.
What is the InChIKey of N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The InChIKey is SVWKMVPURXJIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O4/c1-22-34-28(25-8-4-3-5-9-25)20-35(22)18-23-13-15-24(16-14-23)21-40-30-12-6-10-26-27(30)19-36(32(26)39)29(11-7-17-37)31(38)33-2/h3-6,8-10,12-17,20,29H,7,11,18-19,21H2,1-2H3,(H,33,38).
What are the key properties of N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide has a molecular weight of 536.63 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[7-[[4-[(2-methyl-4-phenylimidazol-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide is sourced from PubChem (CID 130311972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).