3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one

C18H12ClN3O2 — CID 2937683

IUPAC3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(C=C2C=Nc3ccccc32)c(O)n1-c1cccc(Cl)c1
InChIInChI=1S/C18H12ClN3O2/c19-12-4-3-5-13(9-12)22-17(23)16(21-18(22)24)8-11-10-20-15-7-2-1-6-14(11)15/h1-10,23H,(H,21,24)
InChIKeyRJZSKNPNLFNELB-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.78
Rot. Bonds2

About 3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one

3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one (PubChem CID 2937683) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one
PubChem CID2937683
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(C=C2C=Nc3ccccc32)c(O)n1-c1cccc(Cl)c1
InChIInChI=1S/C18H12ClN3O2/c19-12-4-3-5-13(9-12)22-17(23)16(21-18(22)24)8-11-10-20-15-7-2-1-6-14(11)15/h1-10,23H,(H,21,24)
InChIKeyRJZSKNPNLFNELB-UHFFFAOYSA-N
XLogP3.78
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-2-(3-chlorophenyl)imino-5-[(Z)-indol-3-ylidenemethyl]-1,3-thiazol-4-ol
CID 135670347
4-hydroxy-5-(indol-3-ylidenemethyl)-3-prop-2-enyl-1H-imidazol-2-one
CID 137035511
6-hydroxy-5-(indol-3-ylidenemethyl)-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 1402835
1-(4-fluorophenyl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135469945
3-(3,4-dichlorophenyl)-4-hydroxy-5-[(E)-indol-3-ylidenemethyl]-1,3-thiazol-2-one
CID 137263324
3-[(2-fluorophenyl)methyl]-4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-one
CID 135432741
6-hydroxy-5-(indol-3-ylidenemethyl)-1-(4-propan-2-ylphenyl)pyrimidine-2,4-dione
CID 1360329
6-hydroxy-5-(indol-3-ylidenemethyl)-1-methylpyrimidine-2,4-dione
CID 762363
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-hydroxy-5-(indol-3-ylidenemethyl)pyrimidine-2,4-dione
CID 136649363
1-(1,3-benzodioxol-5-yl)-6-hydroxy-5-[(Z)-indol-3-ylidenemethyl]pyrimidine-2,4-dione
CID 135420650
1-(3-chlorophenyl)-6-hydroxy-5-[(Z)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 135884674
2-[4-hydroxy-5-[(Z)-indol-3-ylidenemethyl]-2-oxo-1H-imidazol-3-yl]-N-(4-hydroxyphenyl)acetamide
CID 135718299

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one?
The IUPAC name of 3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one (CID 2937683) is 3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one is O=c1[nH]c(C=C2C=Nc3ccccc32)c(O)n1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one?
The InChIKey is RJZSKNPNLFNELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-12-4-3-5-13(9-12)22-17(23)16(21-18(22)24)8-11-10-20-15-7-2-1-6-14(11)15/h1-10,23H,(H,21,24).
What are the key properties of 3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one?
3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one has a molecular weight of 337.77 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-one is sourced from PubChem (CID 2937683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).