1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone

C19H22N2O — CID 123582838

IUPAC1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone
SMILESCc1cccc2c1C(CC(=O)C1CCCCC1)n1cncc1-2
InChIInChI=1S/C19H22N2O/c1-13-6-5-9-15-17-11-20-12-21(17)16(19(13)15)10-18(22)14-7-3-2-4-8-14/h5-6,9,11-12,14,16H,2-4,7-8,10H2,1H3
InChIKeyMQKDTOHXTGUILJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.30
Rot. Bonds3

About 1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone

1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone (PubChem CID 123582838) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone
PubChem CID123582838
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone
SMILESCc1cccc2c1C(CC(=O)C1CCCCC1)n1cncc1-2
InChIInChI=1S/C19H22N2O/c1-13-6-5-9-15-17-11-20-12-21(17)16(19(13)15)10-18(22)14-7-3-2-4-8-14/h5-6,9,11-12,14,16H,2-4,7-8,10H2,1H3
InChIKeyMQKDTOHXTGUILJ-UHFFFAOYSA-N
XLogP4.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(9-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 118931125
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(oxan-4-yl)ethanone
CID 124647339
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-piperidin-4-ylethanone
CID 122628175
1-cyclopropyl-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
CID 130300406
1-(4-hydroxycyclohexyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanone
CID 118917048
1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexyl]-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 134257741
5-[2-methoxy-2-(oxan-4-yl)ethyl]-6-methyl-5H-imidazo[5,1-a]isoindole
CID 130455678
1-[1-[2-(N-ethylanilino)acetyl]piperidin-4-yl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 135172726
methyl 4-[2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)acetyl]cyclohexane-1-carboxylate
CID 130300429
N-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)acetamide
CID 121288670
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)ethanone
CID 169436950
trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine
CID 102738943

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone (CID 123582838) is 1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone is Cc1cccc2c1C(CC(=O)C1CCCCC1)n1cncc1-2.
What is the InChIKey of 1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
The InChIKey is MQKDTOHXTGUILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-6-5-9-15-17-11-20-12-21(17)16(19(13)15)10-18(22)14-7-3-2-4-8-14/h5-6,9,11-12,14,16H,2-4,7-8,10H2,1H3.
What are the key properties of 1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone?
1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone has a molecular weight of 294.40 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(6-methyl-5H-imidazo[5,1-a]isoindol-5-yl)ethanone is sourced from PubChem (CID 123582838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).