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

C23H21Cl2N3O — CID 11304848

IUPAC3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESO=C1c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)c2CN1C1CCCCC1
InChIInChI=1S/C23H21Cl2N3O/c24-16-12-10-15(11-13-16)22-26-21-20(28(22)19-9-5-4-8-18(19)25)14-27(23(21)29)17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2
InChIKeySTJWIYBJEZKCRW-UHFFFAOYSA-N
MW426.35 g/mol
LogP6.13
Rot. Bonds3

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

3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one (PubChem CID 11304848) has the molecular formula C23H21Cl2N3O and a molecular weight of 426.35 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one
PubChem CID11304848
Molecular FormulaC23H21Cl2N3O
Molecular Weight426.35 g/mol
Exact Mass425.11
IUPAC Name3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESO=C1c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)c2CN1C1CCCCC1
InChIInChI=1S/C23H21Cl2N3O/c24-16-12-10-15(11-13-16)22-26-21-20(28(22)19-9-5-4-8-18(19)25)14-27(23(21)29)17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2
InChIKeySTJWIYBJEZKCRW-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-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 11384765
2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-d]imidazol-4-one
CID 11453059
2,3-bis(2-chlorophenyl)-5-cyclohexyl-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 11453058
1-(2-chlorophenyl)-2-(4-chlorophenyl)-5-[(2S)-2-hydroxycyclohexyl]-3-methyl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
CID 10276853
3-(4-chlorophenyl)-1-cyclohexyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyrrole-2,5-dione
CID 110569799
4-(2-chlorophenyl)-3-(4-chlorophenyl)-5-cyclohexyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857671
(3aR,6aR)-3-(4-chlorophenyl)-5-cyclohexyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 27851286
3-(4-chlorophenyl)-1-cyclohexyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110569779
N-(5-chloro-2-methylphenyl)-2-cyclohexyl-N-methyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
CID 46338464
2-cyclodecylisoindole-1,3-dione
CID 123786237
N-(2-chloro-4-methylphenyl)-2-cyclohexyl-3-oxo-1H-pyrrolo[3,4-b]quinoline-9-carboxamide
CID 46338473
1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-cyano-N'-cyclohexyl-4-methylpyrazole-3-carboximidamide
CID 118470309

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one?
The IUPAC name of 3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one (CID 11304848) is 3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one.
What is the SMILES notation for 3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one?
The canonical SMILES for 3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one is O=C1c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)c2CN1C1CCCCC1.
What is the InChIKey of 3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one?
The InChIKey is STJWIYBJEZKCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O/c24-16-12-10-15(11-13-16)22-26-21-20(28(22)19-9-5-4-8-18(19)25)14-27(23(21)29)17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2.
What are the key properties of 3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one?
3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-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 3-(2-chlorophenyl)-2-(4-chlorophenyl)-5-cyclohexyl-4H-pyrrolo[3,4-d]imidazol-6-one is sourced from PubChem (CID 11304848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).