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

C16H15N3O — CID 41015253

IUPAC(NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
SMILESCn1c(C/C(=N/O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C16H15N3O/c1-19-15-10-6-5-9-13(15)17-16(19)11-14(18-20)12-7-3-2-4-8-12/h2-10,20H,11H2,1H3/b18-14-
InChIKeyVCGVKTADLHNERP-JXAWBTAJSA-N
MW265.32 g/mol
LogP2.99
Rot. Bonds3

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

(NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine (PubChem CID 41015253) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is (NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
PubChem CID41015253
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name(NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
SMILESCn1c(C/C(=N/O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C16H15N3O/c1-19-15-10-6-5-9-13(15)17-16(19)11-14(18-20)12-7-3-2-4-8-12/h2-10,20H,11H2,1H3/b18-14-
InChIKeyVCGVKTADLHNERP-JXAWBTAJSA-N
XLogP2.99
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.99
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-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 4838698
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CID 58580438
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116548567
2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
CID 79754172
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine (CID 41015253) is (NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine is Cn1c(C/C(=N/O)c2ccccc2)nc2ccccc21.
What is the InChIKey of (NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine?
The InChIKey is VCGVKTADLHNERP-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19-15-10-6-5-9-13(15)17-16(19)11-14(18-20)12-7-3-2-4-8-12/h2-10,20H,11H2,1H3/b18-14-.
What are the key properties of (NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine?
(NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine has a molecular weight of 265.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 41015253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).