O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine

C11H15N3O — CID 117293706

IUPACO-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
SMILESCC(C)c1nc2ccc(CON)cc2[nH]1
InChIInChI=1S/C11H15N3O/c1-7(2)11-13-9-4-3-8(6-15-12)5-10(9)14-11/h3-5,7H,6,12H2,1-2H3,(H,13,14)
InChIKeyGNBLCCDLGFKLDT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.08
Rot. Bonds3

About O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine

O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine (PubChem CID 117293706) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
PubChem CID117293706
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameO-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine
SMILESCC(C)c1nc2ccc(CON)cc2[nH]1
InChIInChI=1S/C11H15N3O/c1-7(2)11-13-9-4-3-8(6-15-12)5-10(9)14-11/h3-5,7H,6,12H2,1-2H3,(H,13,14)
InChIKeyGNBLCCDLGFKLDT-UHFFFAOYSA-N
XLogP2.08
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889
methyl 3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanoate
CID 99991101
N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]methanesulfonamide
CID 110785750
[2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004415
N-(2-methoxyethyl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)acetamide
CID 110772819
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide
CID 110791583
2-[(2-propan-2-yl-3H-benzimidazol-5-yl)methylamino]acetic acid
CID 82498520
3-[(2-propan-2-yl-3H-benzimidazol-5-yl)oxy]propan-1-amine
CID 82496166
CID 162266881
CID 162266881
2-propan-2-yl-6-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 82497430
3-methyl-N-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]butanamide
CID 110785720

Frequently Asked Questions

What is the IUPAC name of O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine?
The IUPAC name of O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine (CID 117293706) is O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine is CC(C)c1nc2ccc(CON)cc2[nH]1.
What is the InChIKey of O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine?
The InChIKey is GNBLCCDLGFKLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)11-13-9-4-3-8(6-15-12)5-10(9)14-11/h3-5,7H,6,12H2,1-2H3,(H,13,14).
What are the key properties of O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine?
O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine has a molecular weight of 205.26 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-propan-2-yl-3H-benzimidazol-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 117293706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).