(NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine

C15H13N3O2 — CID 10445682

IUPAC(NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc2nc(-c3ccccc3)n(O)c2c1
InChIInChI=1S/C15H13N3O2/c1-10(17-19)12-7-8-13-14(9-12)18(20)15(16-13)11-5-3-2-4-6-11/h2-9,19-20H,1H3/b17-10-
InChIKeyOSRFZXDDRYGFIH-YVLHZVERSA-N
MW267.29 g/mol
LogP3.14
Rot. Bonds2

About (NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine

(NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine (PubChem CID 10445682) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine
PubChem CID10445682
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine
SMILESC/C(=N/O)c1ccc2nc(-c3ccccc3)n(O)c2c1
InChIInChI=1S/C15H13N3O2/c1-10(17-19)12-7-8-13-14(9-12)18(20)15(16-13)11-5-3-2-4-6-11/h2-9,19-20H,1H3/b17-10-
InChIKeyOSRFZXDDRYGFIH-YVLHZVERSA-N
XLogP3.14
TPSA70.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', '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-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine (CID 10445682) is (NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine is C/C(=N/O)c1ccc2nc(-c3ccccc3)n(O)c2c1.
What is the InChIKey of (NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine?
The InChIKey is OSRFZXDDRYGFIH-YVLHZVERSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10(17-19)12-7-8-13-14(9-12)18(20)15(16-13)11-5-3-2-4-6-11/h2-9,19-20H,1H3/b17-10-.
What are the key properties of (NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine?
(NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine has a molecular weight of 267.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(3-hydroxy-2-phenylbenzimidazol-5-yl)ethylidene]hydroxylamine is sourced from PubChem (CID 10445682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).