O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine

C12H15N3O — CID 117309592

IUPACO-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
SMILESCn1c(C2CC2)nc2cc(CON)ccc21
InChIInChI=1S/C12H15N3O/c1-15-11-5-2-8(7-16-13)6-10(11)14-12(15)9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3
InChIKeySOIAKHVXMQAUPW-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.84
Rot. Bonds3

About O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine

O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine (PubChem CID 117309592) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
PubChem CID117309592
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameO-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
SMILESCn1c(C2CC2)nc2cc(CON)ccc21
InChIInChI=1S/C12H15N3O/c1-15-11-5-2-8(7-16-13)6-10(11)14-12(15)9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3
InChIKeySOIAKHVXMQAUPW-UHFFFAOYSA-N
XLogP1.84
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
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 O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine?
The IUPAC name of O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine (CID 117309592) is O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine is Cn1c(C2CC2)nc2cc(CON)ccc21.
What is the InChIKey of O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine?
The InChIKey is SOIAKHVXMQAUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-11-5-2-8(7-16-13)6-10(11)14-12(15)9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3.
What are the key properties of O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine?
O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine has a molecular weight of 217.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 117309592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).