1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

C19H20F2N2O — CID 70874445

IUPAC1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESOC(CC1c2ccccc2-c2cncn21)C1CCC(=C(F)F)CC1
InChIInChI=1S/C19H20F2N2O/c20-19(21)13-7-5-12(6-8-13)18(24)9-16-14-3-1-2-4-15(14)17-10-22-11-23(16)17/h1-4,10-12,16,18,24H,5-9H2
InChIKeyNWDKPBHGOWJAIE-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.54
Rot. Bonds3

About 1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (PubChem CID 70874445) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
PubChem CID70874445
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESOC(CC1c2ccccc2-c2cncn21)C1CCC(=C(F)F)CC1
InChIInChI=1S/C19H20F2N2O/c20-19(21)13-7-5-12(6-8-13)18(24)9-16-14-3-1-2-4-15(14)17-10-22-11-23(16)17/h1-4,10-12,16,18,24H,5-9H2
InChIKeyNWDKPBHGOWJAIE-UHFFFAOYSA-N
XLogP4.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The IUPAC name of 1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (CID 70874445) is 1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.
What is the SMILES notation for 1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The canonical SMILES for 1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is OC(CC1c2ccccc2-c2cncn21)C1CCC(=C(F)F)CC1.
What is the InChIKey of 1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The InChIKey is NWDKPBHGOWJAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c20-19(21)13-7-5-12(6-8-13)18(24)9-16-14-3-1-2-4-15(14)17-10-22-11-23(16)17/h1-4,10-12,16,18,24H,5-9H2.
What are the key properties of 1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol has a molecular weight of 330.38 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylidene)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is sourced from PubChem (CID 70874445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).