2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one

C23H21Cl2N3O — CID 11453059

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one
SMILESO=C1c2c(nc(-c3ccccc3Cl)n2-c2ccc(Cl)cc2)CN1C1CCCCC1
InChIInChI=1S/C23H21Cl2N3O/c24-15-10-12-17(13-11-15)28-21-20(26-22(28)18-8-4-5-9-19(18)25)14-27(23(21)29)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14H2
InChIKeyTUJVYJGQDYKZPL-UHFFFAOYSA-N
MW426.35 g/mol
LogP6.13
Rot. Bonds3

About 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one

2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one (PubChem CID 11453059) has the molecular formula C23H21Cl2N3O and a molecular weight of 426.35 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one
PubChem CID11453059
Molecular FormulaC23H21Cl2N3O
Molecular Weight426.35 g/mol
Exact Mass425.11
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one
SMILESO=C1c2c(nc(-c3ccccc3Cl)n2-c2ccc(Cl)cc2)CN1C1CCCCC1
InChIInChI=1S/C23H21Cl2N3O/c24-15-10-12-17(13-11-15)28-21-20(26-22(28)18-8-4-5-9-19(18)25)14-27(23(21)29)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14H2
InChIKeyTUJVYJGQDYKZPL-UHFFFAOYSA-N
XLogP6.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.35
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 11453058
3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 11304848
2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 11384765
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
CID 161181256
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine
CID 172783819
(2S)-2-[8-(2-chlorophenyl)-7-(4-chlorophenyl)-3-cyclohexyloxy-2,6-dioxopurin-1-yl]propanamide
CID 175257142
2-(2-chlorophenyl)-5-fluoro-3-phenylquinazolin-4-one
CID 155671982
2,3-bis(2-chlorophenyl)imidazo[1,2-b]isoindol-5-one
CID 102591136
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 24748218
4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-cyclopentylpiperazine-1-carboxamide
CID 135156347
6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 142597982
[8-(2-chlorophenyl)-7-(4-chlorophenyl)-2,6-dioxopurin-3-yl] thiohypofluorite
CID 156714328

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one (CID 11453059) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one is O=C1c2c(nc(-c3ccccc3Cl)n2-c2ccc(Cl)cc2)CN1C1CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one?
The InChIKey is TUJVYJGQDYKZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O/c24-15-10-12-17(13-11-15)28-21-20(26-22(28)18-8-4-5-9-19(18)25)14-27(23(21)29)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14H2.
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one has a molecular weight of 426.35 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one is sourced from PubChem (CID 11453059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).