2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one

C26H29N3O3 — CID 123727920

IUPAC2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one
SMILESCC(C)CCn1c(O)cn(Cc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cc2)c1=O
InChIInChI=1S/C26H29N3O3/c1-17(2)11-12-28-24(30)16-27(26(28)32)14-18-3-5-19(6-4-18)20-7-10-23-21(13-20)15-29(25(23)31)22-8-9-22/h3-7,10,13,16-17,22,30H,8-9,11-12,14-15H2,1-2H3
InChIKeyDSGKHTZWSFZWBA-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.24
Rot. Bonds7

About 2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one

2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one (PubChem CID 123727920) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one
PubChem CID123727920
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one
SMILESCC(C)CCn1c(O)cn(Cc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cc2)c1=O
InChIInChI=1S/C26H29N3O3/c1-17(2)11-12-28-24(30)16-27(26(28)32)14-18-3-5-19(6-4-18)20-7-10-23-21(13-20)15-29(25(23)31)22-8-9-22/h3-7,10,13,16-17,22,30H,8-9,11-12,14-15H2,1-2H3
InChIKeyDSGKHTZWSFZWBA-UHFFFAOYSA-N
XLogP4.24
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one with MolForge

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Related Compounds

2-cyclobutyl-5-[4-[(3-ethyl-4-hydroxy-2-oxoimidazol-1-yl)methyl]phenyl]-3H-isoindol-1-one
CID 123872119
5-[4-[(3-ethyl-4-hydroxy-2-oxoimidazol-1-yl)methyl]phenyl]-2-(2-fluoroethyl)-3H-isoindol-1-one
CID 123361951
1-[[4-(2-cyclopropyl-1-oxo-3H-isoindol-5-yl)-3-methylphenyl]methyl]-3-methylimidazolidine-2,4-dione
CID 67172819
4-[2-(1-ethylpiperidin-4-yl)-1-oxo-3H-isoindol-5-yl]benzonitrile
CID 25221204
1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one
CID 91332876
7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one
CID 123739240
5-[4-[(3-ethyl-4-hydroxy-5-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-(3,3,3-trifluoro-2-hydroxypropyl)-3H-isoindol-1-one
CID 123828484
2-cyclopropyl-1-oxo-3H-isoindole-5-sulfonamide
CID 174935951
3,5,5-trimethyl-1-[[4-[2-(2-methylpropyl)-1-oxo-3H-isoindol-5-yl]phenyl]methyl]imidazolidine-2,4-dione
CID 52932029
1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one
CID 91480560
1-methyl-3-[6-(2-methylpropyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170278341
5-[4-(2-aminoethyl)phenyl]-2-methyl-3H-isoindol-1-one
CID 157017376

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one?
The IUPAC name of 2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one (CID 123727920) is 2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one?
The canonical SMILES for 2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one is CC(C)CCn1c(O)cn(Cc2ccc(-c3ccc4c(c3)CN(C3CC3)C4=O)cc2)c1=O.
What is the InChIKey of 2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one?
The InChIKey is DSGKHTZWSFZWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-17(2)11-12-28-24(30)16-27(26(28)32)14-18-3-5-19(6-4-18)20-7-10-23-21(13-20)15-29(25(23)31)22-8-9-22/h3-7,10,13,16-17,22,30H,8-9,11-12,14-15H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one?
2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one has a molecular weight of 431.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one is sourced from PubChem (CID 123727920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).