1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea

C19H18N4O3 — CID 167858948

IUPAC1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea
SMILESCN1Cc2ccc(CNC(=O)Nc3cccc4c3CNC4=O)cc2C1=O
InChIInChI=1S/C19H18N4O3/c1-23-10-12-6-5-11(7-14(12)18(23)25)8-21-19(26)22-16-4-2-3-13-15(16)9-20-17(13)24/h2-7H,8-10H2,1H3,(H,20,24)(H2,21,22,26)
InChIKeyXHICYZANMVYXNL-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.84
Rot. Bonds3

About 1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea

1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea (PubChem CID 167858948) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea.

Molecular Properties

Compound Name1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea
PubChem CID167858948
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea
SMILESCN1Cc2ccc(CNC(=O)Nc3cccc4c3CNC4=O)cc2C1=O
InChIInChI=1S/C19H18N4O3/c1-23-10-12-6-5-11(7-14(12)18(23)25)8-21-19(26)22-16-4-2-3-13-15(16)9-20-17(13)24/h2-7H,8-10H2,1H3,(H,20,24)(H2,21,22,26)
InChIKeyXHICYZANMVYXNL-UHFFFAOYSA-N
XLogP1.84
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea with MolForge

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Related Compounds

2-chloro-N-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]acetamide
CID 166415823
1-(1-oxo-2,3-dihydroisoindol-4-yl)-3-(2-propylpyrazol-3-yl)urea
CID 167770760
1-(cyclobutylmethyl)-3-(2-methyl-1-oxo-3H-isoindol-4-yl)urea
CID 166405797
6-(aminomethyl)-2-methyl-3H-isoindol-1-one
CID 83816625
1-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea
CID 166404601
10-oxo-10-[(1-oxo-2,3-dihydroisoindol-4-yl)amino]decanoic acid
CID 71359584
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea
CID 166407891
1-[3-chloro-4-(2-hydroxyethyl)phenyl]-3-[(2-methyl-1-oxo-3H-isoindol-5-yl)methyl]urea;ethane
CID 167508071
tert-butyl N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]carbamate
CID 67259861
1-(2-bromophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 11350703
ethane;6-methyl-2-[(1-oxo-2,3-dihydroisoindol-4-yl)methyl]-3H-isoindol-1-one
CID 177192658
3-(2-methyl-3-oxo-1H-isoindol-5-yl)propanal
CID 117291557

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea?
The IUPAC name of 1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea (CID 167858948) is 1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea.
What is the SMILES notation for 1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea?
The canonical SMILES for 1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea is CN1Cc2ccc(CNC(=O)Nc3cccc4c3CNC4=O)cc2C1=O.
What is the InChIKey of 1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea?
The InChIKey is XHICYZANMVYXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-23-10-12-6-5-11(7-14(12)18(23)25)8-21-19(26)22-16-4-2-3-13-15(16)9-20-17(13)24/h2-7H,8-10H2,1H3,(H,20,24)(H2,21,22,26).
What are the key properties of 1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea?
1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea has a molecular weight of 350.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-3-oxo-1H-isoindol-5-yl)methyl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea is sourced from PubChem (CID 167858948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).