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

C18H20N4O — CID 118857872

IUPAC(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide
SMILESO=N/N=C(/CC1c2ccccc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C18H20N4O/c23-21-20-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-19-12-22(17)18/h4-5,8-9,11-13,17H,1-3,6-7,10H2/b20-16-
InChIKeyVSEJMENIYTTXGQ-SILNSSARSA-N
MW308.38 g/mol
LogP4.55
Rot. Bonds4

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

(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide (PubChem CID 118857872) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide.

Molecular Properties

Compound Name(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide
PubChem CID118857872
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide
SMILESO=N/N=C(/CC1c2ccccc2-c2cncn21)C1CCCCC1
InChIInChI=1S/C18H20N4O/c23-21-20-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-19-12-22(17)18/h4-5,8-9,11-13,17H,1-3,6-7,10H2/b20-16-
InChIKeyVSEJMENIYTTXGQ-SILNSSARSA-N
XLogP4.55
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
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
1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
CID 145351818
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
CID 145351930
cyclohexyl 4-(5H-imidazo[5,1-a]isoindol-5-yl)butanoate
CID 118690890
1-(1-adamantyl)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]ethanone
CID 138962007
1-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 142381557
1-cyclohexyl-2-(9-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanone
CID 118931125
trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cycloheptan-1-ol
CID 129282542
4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]bicyclo[2.2.2]octane-1-carboxamide
CID 145402347

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide?
The IUPAC name of (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide (CID 118857872) is (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide.
What is the SMILES notation for (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide?
The canonical SMILES for (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide is O=N/N=C(/CC1c2ccccc2-c2cncn21)C1CCCCC1.
What is the InChIKey of (NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide?
The InChIKey is VSEJMENIYTTXGQ-SILNSSARSA-N. The full InChI is InChI=1S/C18H20N4O/c23-21-20-16(13-6-2-1-3-7-13)10-17-14-8-4-5-9-15(14)18-11-19-12-22(17)18/h4-5,8-9,11-13,17H,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]nitrous amide?
(NZ)-N-[1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethylidene]nitrous amide has a molecular weight of 308.38 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 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]nitrous amide is sourced from PubChem (CID 118857872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).