(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine

C15H13N3O — CID 25344926

IUPAC(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
SMILESO/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C15H13N3O/c19-18-14(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-13(12)17-15/h1-9,19H,10H2,(H,16,17)/b18-14-
InChIKeyYMHSLWUPHSLIJT-JXAWBTAJSA-N
MW251.29 g/mol
LogP2.98
Rot. Bonds3

About (NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine

(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine (PubChem CID 25344926) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
PubChem CID25344926
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
SMILESO/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C15H13N3O/c19-18-14(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-13(12)17-15/h1-9,19H,10H2,(H,16,17)/b18-14-
InChIKeyYMHSLWUPHSLIJT-JXAWBTAJSA-N
XLogP2.98
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine
CID 4656710
2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine
CID 71951324
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine
CID 3489613
(Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine
CID 35580856
N-[[2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethylidene]amino]aniline
CID 4621392
N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline
CID 6520440
2-(1H-benzimidazol-2-yl)acetate
CID 6955878
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-3-nitrobenzamide
CID 5083022
2-(2-methylidenebut-3-enyl)-1H-benzimidazole
CID 163413437
N-[1-phenyl-2-(1H-1,2,4-triazol-5-yl)ethylidene]hydroxylamine
CID 88645908
2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide
CID 63640669
3-[(2E)-2-[2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethylidene]hydrazinyl]propanenitrile
CID 6520359

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine (CID 25344926) is (NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine is O/N=C(/Cc1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of (NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine?
The InChIKey is YMHSLWUPHSLIJT-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H13N3O/c19-18-14(11-6-2-1-3-7-11)10-15-16-12-8-4-5-9-13(12)17-15/h1-9,19H,10H2,(H,16,17)/b18-14-.
What are the key properties of (NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine?
(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine has a molecular weight of 251.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 25344926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).