7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one

C22H21Cl2N3O3 — CID 123739240

IUPAC7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCC(C)N1Cc2cc(-c3ccc(Cn4cc(O)n(C)c4=O)cc3Cl)cc(Cl)c2C1=O
InChIInChI=1S/C22H21Cl2N3O3/c1-12(2)27-10-15-7-14(8-18(24)20(15)21(27)29)16-5-4-13(6-17(16)23)9-26-11-19(28)25(3)22(26)30/h4-8,11-12,28H,9-10H2,1-3H3
InChIKeyQPXULWSLEJAXIY-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.28
Rot. Bonds4

About 7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one

7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one (PubChem CID 123739240) has the molecular formula C22H21Cl2N3O3 and a molecular weight of 446.33 g/mol. Its IUPAC name is 7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one
PubChem CID123739240
Molecular FormulaC22H21Cl2N3O3
Molecular Weight446.33 g/mol
Exact Mass445.10
IUPAC Name7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCC(C)N1Cc2cc(-c3ccc(Cn4cc(O)n(C)c4=O)cc3Cl)cc(Cl)c2C1=O
InChIInChI=1S/C22H21Cl2N3O3/c1-12(2)27-10-15-7-14(8-18(24)20(15)21(27)29)16-5-4-13(6-17(16)23)9-26-11-19(28)25(3)22(26)30/h4-8,11-12,28H,9-10H2,1-3H3
InChIKeyQPXULWSLEJAXIY-UHFFFAOYSA-N
XLogP4.28
TPSA67.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one with MolForge

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Related Compounds

1-benzyl-4-hydroxy-3-methylimidazol-2-one
CID 54295474
2-cyclopropyl-5-[4-[[4-hydroxy-3-(3-methylbutyl)-2-oxoimidazol-1-yl]methyl]phenyl]-3H-isoindol-1-one
CID 123727920
5-[4-[(3-ethyl-4-hydroxy-2-oxoimidazol-1-yl)methyl]phenyl]-2-(2-fluoroethyl)-3H-isoindol-1-one
CID 123361951
7-chloro-6-hydroxy-5-methyl-2-propan-2-yl-3H-isoindol-1-one
CID 118546802
6-ethyl-2-propan-2-yl-3H-isoindol-1-one
CID 71066779
6-(2-hydroxypropyl)-2-propan-2-yl-3H-isoindol-1-one
CID 117338410
7-methyl-5-phenyl-2-propan-2-yl-3H-isoindol-1-one
CID 141186433
4-hydroxy-3-methyl-1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]imidazol-2-one
CID 123776067
2-cyclobutyl-5-[4-[(3-ethyl-4-hydroxy-2-oxoimidazol-1-yl)methyl]phenyl]-3H-isoindol-1-one
CID 123872119
6-(piperazin-1-ylmethyl)-2-propan-2-yl-3H-isoindol-1-one
CID 117436557
3-(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)propanoic acid
CID 54493376
6-chloro-2-propan-2-yl-3H-isoindol-1-one
CID 126654239

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one?
The IUPAC name of 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) is 7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one?
The canonical SMILES for 7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one is CC(C)N1Cc2cc(-c3ccc(Cn4cc(O)n(C)c4=O)cc3Cl)cc(Cl)c2C1=O.
What is the InChIKey of 7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one?
The InChIKey is QPXULWSLEJAXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3/c1-12(2)27-10-15-7-14(8-18(24)20(15)21(27)29)16-5-4-13(6-17(16)23)9-26-11-19(28)25(3)22(26)30/h4-8,11-12,28H,9-10H2,1-3H3.
What are the key properties of 7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one?
7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one has a molecular weight of 446.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[2-chloro-4-[(4-hydroxy-3-methyl-2-oxoimidazol-1-yl)methyl]phenyl]-2-propan-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 123739240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).