5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline

C19H23FN2 — CID 129072590

IUPAC5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESFC(CC1Cc2ccccc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C19H23FN2/c20-18(14-6-2-1-3-7-14)11-16-10-15-8-4-5-9-17(15)19-12-21-13-22(16)19/h4-5,8-9,12-14,16,18H,1-3,6-7,10-11H2
InChIKeyMCRCDKJVHBJTQP-UHFFFAOYSA-N
MW298.40 g/mol
LogP4.96
Rot. Bonds3

About 5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline

5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 129072590) has the molecular formula C19H23FN2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID129072590
Molecular FormulaC19H23FN2
Molecular Weight298.40 g/mol
Exact Mass298.18
IUPAC Name5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESFC(CC1Cc2ccccc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C19H23FN2/c20-18(14-6-2-1-3-7-14)11-16-10-15-8-4-5-9-17(15)19-12-21-13-22(16)19/h4-5,8-9,12-14,16,18H,1-3,6-7,10-11H2
InChIKeyMCRCDKJVHBJTQP-UHFFFAOYSA-N
XLogP4.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclohexyl-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methanol
CID 129282494
4-[1-fluoro-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethyl]cyclohexan-1-ol
CID 118917060
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)propan-1-ol
CID 70874781
1-cyclohexyl-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanamine
CID 118917049
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanamine;N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine
CID 160858964
(1R)-1-(1-cyclohexylpiperidin-4-yl)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]ethanol
CID 141349404
1-cyclohexyl-2-[4-(1-fluoroethyl)-4,5,8,10-tetrazatricyclo[6.3.0.02,6]undeca-1(11),2,5,9-tetraen-7-yl]ethanol;fluoromethane
CID 145352011
trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cycloheptan-1-ol
CID 129282542
1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 70874445
trans-(1R,2R)-2-[5-(2-methylphenyl)imidazol-1-yl]cyclohexan-1-amine
CID 102738943
N-cyclopentyl-4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidine-1-carboxamide
CID 77141528

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 129072590) is 5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline is FC(CC1Cc2ccccc2-c2cncn21)C1CCCCC1.
What is the InChIKey of 5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is MCRCDKJVHBJTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2/c20-18(14-6-2-1-3-7-14)11-16-10-15-8-4-5-9-17(15)19-12-21-13-22(16)19/h4-5,8-9,12-14,16,18H,1-3,6-7,10-11H2.
What are the key properties of 5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 298.40 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexyl-2-fluoroethyl)-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 129072590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).