N-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine

C15H11N5O — CID 910649

IUPACN-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine
SMILESON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H11N5O/c21-20-13(14-16-9-5-1-2-6-10(9)17-14)15-18-11-7-3-4-8-12(11)19-15/h1-8,21H,(H,16,17)(H,18,19)
InChIKeyWIZFHSAFKKUPRU-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.67
Rot. Bonds2

About N-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine

N-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine (PubChem CID 910649) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine
PubChem CID910649
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC NameN-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine
SMILESON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H11N5O/c21-20-13(14-16-9-5-1-2-6-10(9)17-14)15-18-11-7-3-4-8-12(11)19-15/h1-8,21H,(H,16,17)(H,18,19)
InChIKeyWIZFHSAFKKUPRU-UHFFFAOYSA-N
XLogP2.67
TPSA89.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.67
H-Bond Donors ≤ 53
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 N-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine (CID 910649) is N-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine is ON=C(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine?
The InChIKey is WIZFHSAFKKUPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c21-20-13(14-16-9-5-1-2-6-10(9)17-14)15-18-11-7-3-4-8-12(11)19-15/h1-8,21H,(H,16,17)(H,18,19).
What are the key properties of N-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine?
N-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine has a molecular weight of 277.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(1H-benzimidazol-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 910649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).