1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine

C18H23N3 — CID 66558294

IUPAC1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine
SMILESNC(CC1c2ccccc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C18H23N3/c19-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-20-12-21(17)18/h4-5,8-9,11-13,16-17H,1-3,6-7,10,19H2
InChIKeyOCMQWRLTHDLIRS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.75
Rot. Bonds3

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

1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine (PubChem CID 66558294) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine
PubChem CID66558294
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine
SMILESNC(CC1c2ccccc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C18H23N3/c19-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-20-12-21(17)18/h4-5,8-9,11-13,16-17H,1-3,6-7,10,19H2
InChIKeyOCMQWRLTHDLIRS-UHFFFAOYSA-N
XLogP3.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-phenyl-1H-imidazole
CID 10444038
Nlg919
CID 66558287
1-phenyl-2-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 16682272
(1~{r})-1-Cyclohexyl-2-[(5~{s})-5~{h}-Imidazo[1,5-B]isoindol-5-Yl]ethanol
CID 70874783
4-(1,1-Difluoro-2-[6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl]ethyl)cyclohexan-1-ol
CID 118917109
5H-Imidazo[2,1-a]isoindole, 2-phenyl-
CID 162928
(2-(o-Tolyl)imidazo[1,2-a]pyridin-3-yl)methanamine hydrochloride (5h)
CID 118704650
2-Phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 765511
(S)-6-(2-(pyrimidin-5-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574074
(S)-6-(2-(pyridin-3-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574078
Benzyl-(1-methyl-5-phenyl-1H-imidazol-2-yl)-amine
CID 1096462
1,2-Diphenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682165

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine?
The IUPAC name of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine (CID 66558294) is 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine?
The canonical SMILES for 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine is NC(CC1c2ccccc2-c2cncn21)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine?
The InChIKey is OCMQWRLTHDLIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c19-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-20-12-21(17)18/h4-5,8-9,11-13,16-17H,1-3,6-7,10,19H2.
What are the key properties of 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine?
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine is sourced from PubChem (CID 66558294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).