(NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine

C10H11N3O — CID 136636081

IUPAC(NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine
SMILESCCn1c(/C=N/O)nc2ccccc21
InChIInChI=1S/C10H11N3O/c1-2-13-9-6-4-3-5-8(9)12-10(13)7-11-14/h3-7,14H,2H2,1H3/b11-7+
InChIKeyVKEHIUQPNRBYEL-YRNVUSSQSA-N
MW189.22 g/mol
LogP1.86
Rot. Bonds2

About (NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine

(NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine (PubChem CID 136636081) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine
PubChem CID136636081
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine
SMILESCCn1c(/C=N/O)nc2ccccc21
InChIInChI=1S/C10H11N3O/c1-2-13-9-6-4-3-5-8(9)12-10(13)7-11-14/h3-7,14H,2H2,1H3/b11-7+
InChIKeyVKEHIUQPNRBYEL-YRNVUSSQSA-N
XLogP1.86
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.86
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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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 18173
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine
CID 921503
N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide
CID 44791043
2-[2-[(1-ethylbenzimidazol-2-yl)methylideneamino]benzimidazol-1-yl]-N,N-dimethylethanamine
CID 1212470
1-ethyl-2-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzimidazole
CID 6489920
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide
CID 4137829
1-ethyl-2-hydroxysulfanylbenzimidazole
CID 143815190
[(E)-2-(1-ethylbenzimidazol-2-yl)-1-phenylethenyl] benzoate
CID 5334924
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine (CID 136636081) is (NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine is CCn1c(/C=N/O)nc2ccccc21.
What is the InChIKey of (NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine?
The InChIKey is VKEHIUQPNRBYEL-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-13-9-6-4-3-5-8(9)12-10(13)7-11-14/h3-7,14H,2H2,1H3/b11-7+.
What are the key properties of (NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine?
(NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine has a molecular weight of 189.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 136636081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).