2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione

C19H21N3O2 — CID 67900303

IUPAC2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione
SMILESCC1CCCCC1(CN1C(=O)c2ccccc2C1=O)n1ccnc1
InChIInChI=1S/C19H21N3O2/c1-14-6-4-5-9-19(14,21-11-10-20-13-21)12-22-17(23)15-7-2-3-8-16(15)18(22)24/h2-3,7-8,10-11,13-14H,4-6,9,12H2,1H3
InChIKeyAIUGEVAUIYPSOH-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.08
Rot. Bonds3

About 2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione

2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione (PubChem CID 67900303) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione
PubChem CID67900303
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione
SMILESCC1CCCCC1(CN1C(=O)c2ccccc2C1=O)n1ccnc1
InChIInChI=1S/C19H21N3O2/c1-14-6-4-5-9-19(14,21-11-10-20-13-21)12-22-17(23)15-7-2-3-8-16(15)18(22)24/h2-3,7-8,10-11,13-14H,4-6,9,12H2,1H3
InChIKeyAIUGEVAUIYPSOH-UHFFFAOYSA-N
XLogP3.08
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[[4-(imidazol-1-ylmethyl)cyclohexyl]methyl]isoindole-1,3-dione
CID 70051606
2-[(1-tert-butylcyclopropyl)methyl]isoindole-1,3-dione
CID 89486758
2-[[1-(hydroxymethyl)cyclopentyl]methyl]isoindole-1,3-dione
CID 71756779
2-[2-oxo-2-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]ethyl]isoindole-1,3-dione
CID 7054264
2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 19133035
1-[(1,3-dioxoisoindol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 70206323
2-[(2-methylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
CID 130706522
2-[[(3aS,6aS)-2-oxo-1,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]methyl]isoindole-1,3-dione
CID 154981394
2-[[(2S,3R)-2-(2-fluoro-6-pyrimidin-2-ylbenzoyl)-3-methylpiperidin-2-yl]methyl]isoindole-1,3-dione
CID 118309868
2-[[(2S,3R)-3-methyl-2-(5-methyl-2-pyrimidin-2-ylbenzoyl)piperidin-2-yl]methyl]isoindole-1,3-dione
CID 118309882
[2-methyl-1-(1,2,4-triazol-4-yl)cyclohexyl]methanamine
CID 115309153
(1,3-dioxoisoindol-2-yl)methyl 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 18272293

Frequently Asked Questions

What is the IUPAC name of 2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione (CID 67900303) is 2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione is CC1CCCCC1(CN1C(=O)c2ccccc2C1=O)n1ccnc1.
What is the InChIKey of 2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione?
The InChIKey is AIUGEVAUIYPSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-6-4-5-9-19(14,21-11-10-20-13-21)12-22-17(23)15-7-2-3-8-16(15)18(22)24/h2-3,7-8,10-11,13-14H,4-6,9,12H2,1H3.
What are the key properties of 2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione?
2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione has a molecular weight of 323.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-imidazol-1-yl-2-methylcyclohexyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 67900303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).