(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine

C18H21N3O — CID 89052784

IUPAC(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine
SMILESO/N=C(/CC1c2ccccc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C18H21N3O/c22-20-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-19-12-21(17)18/h4-5,8-9,11-13,17,22H,1-3,6-7,10H2/b20-16-
InChIKeyPPEUMDWFICZDCN-SILNSSARSA-N
MW295.39 g/mol
LogP4.25
Rot. Bonds3

About (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine

(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine (PubChem CID 89052784) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine
PubChem CID89052784
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine
SMILESO/N=C(/CC1c2ccccc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C18H21N3O/c22-20-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-19-12-21(17)18/h4-5,8-9,11-13,17,22H,1-3,6-7,10H2/b20-16-
InChIKeyPPEUMDWFICZDCN-SILNSSARSA-N
XLogP4.25
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine (CID 89052784) is (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine is O/N=C(/CC1c2ccccc2-c2cncn21)C1CCCCC1.
What is the InChIKey of (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine?
The InChIKey is PPEUMDWFICZDCN-SILNSSARSA-N. The full InChI is InChI=1S/C18H21N3O/c22-20-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-19-12-21(17)18/h4-5,8-9,11-13,17,22H,1-3,6-7,10H2/b20-16-.
What are the key properties of (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine?
(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine has a molecular weight of 295.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 89052784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).