N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine

C13H19N3O — CID 117338837

IUPACN-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
SMILESCn1c(C(C)(C)C)nc2cc(CNO)ccc21
InChIInChI=1S/C13H19N3O/c1-13(2,3)12-15-10-7-9(8-14-17)5-6-11(10)16(12)4/h5-7,14,17H,8H2,1-4H3
InChIKeyTUYGRDMOMYZZCK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.35
Rot. Bonds2

About N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine

N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine (PubChem CID 117338837) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
PubChem CID117338837
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
SMILESCn1c(C(C)(C)C)nc2cc(CNO)ccc21
InChIInChI=1S/C13H19N3O/c1-13(2,3)12-15-10-7-9(8-14-17)5-6-11(10)16(12)4/h5-7,14,17H,8H2,1-4H3
InChIKeyTUYGRDMOMYZZCK-UHFFFAOYSA-N
XLogP2.35
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine?
The IUPAC name of N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine (CID 117338837) is N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine is Cn1c(C(C)(C)C)nc2cc(CNO)ccc21.
What is the InChIKey of N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine?
The InChIKey is TUYGRDMOMYZZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,3)12-15-10-7-9(8-14-17)5-6-11(10)16(12)4/h5-7,14,17H,8H2,1-4H3.
What are the key properties of N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine?
N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine has a molecular weight of 233.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 117338837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).