(NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

C16H19N3O — CID 43834615

IUPAC(NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCCc1nc2ccccc2n1C1/C(=N\O)C2CCC1C2
InChIInChI=1S/C16H19N3O/c1-2-14-17-12-5-3-4-6-13(12)19(14)16-11-8-7-10(9-11)15(16)18-20/h3-6,10-11,16,20H,2,7-9H2,1H3/b18-15-
InChIKeyWVEMASYBVFPFEH-SDXDJHTJSA-N
MW269.35 g/mol
LogP3.40
Rot. Bonds2

About (NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine

(NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (PubChem CID 43834615) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
PubChem CID43834615
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
SMILESCCc1nc2ccccc2n1C1/C(=N\O)C2CCC1C2
InChIInChI=1S/C16H19N3O/c1-2-14-17-12-5-3-4-6-13(12)19(14)16-11-8-7-10(9-11)15(16)18-20/h3-6,10-11,16,20H,2,7-9H2,1H3/b18-15-
InChIKeyWVEMASYBVFPFEH-SDXDJHTJSA-N
XLogP3.40
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.40
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-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine (CID 43834615) is (NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is CCc1nc2ccccc2n1C1/C(=N\O)C2CCC1C2.
What is the InChIKey of (NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
The InChIKey is WVEMASYBVFPFEH-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-14-17-12-5-3-4-6-13(12)19(14)16-11-8-7-10(9-11)15(16)18-20/h3-6,10-11,16,20H,2,7-9H2,1H3/b18-15-.
What are the key properties of (NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine?
(NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine has a molecular weight of 269.35 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[3-(2-ethylbenzimidazol-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine is sourced from PubChem (CID 43834615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).