3-(3-aminooxypropyl)-1H-benzimidazol-2-one

C10H13N3O2 — CID 106938634

IUPAC3-(3-aminooxypropyl)-1H-benzimidazol-2-one
SMILESNOCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C10H13N3O2/c11-15-7-3-6-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7,11H2,(H,12,14)
InChIKeyYGJHWFMOSXVZID-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.61
Rot. Bonds4

About 3-(3-aminooxypropyl)-1H-benzimidazol-2-one

3-(3-aminooxypropyl)-1H-benzimidazol-2-one (PubChem CID 106938634) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(3-aminooxypropyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(3-aminooxypropyl)-1H-benzimidazol-2-one
PubChem CID106938634
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(3-aminooxypropyl)-1H-benzimidazol-2-one
SMILESNOCCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C10H13N3O2/c11-15-7-3-6-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7,11H2,(H,12,14)
InChIKeyYGJHWFMOSXVZID-UHFFFAOYSA-N
XLogP0.61
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-phenoxypropyl)-1H-benzimidazol-2-one
CID 649414
3-[3-(4-aminophenoxy)propyl]-1H-benzimidazol-2-one
CID 61035080
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660
3-[3-(2-amino-2-methylpropoxy)propyl]-1H-benzimidazol-2-one
CID 106938183
3-[3-(2-amino-2-methylbutoxy)propyl]-1H-benzimidazol-2-one
CID 106938306
4-[3-(2-oxo-3H-benzimidazol-1-yl)propoxy]benzaldehyde
CID 38898419
3-(3-piperidin-4-yloxypropyl)-1H-benzimidazol-2-one
CID 106937632
3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-(hydroxymethyl)benzoate
CID 2686185
3-(2-oxo-3H-benzimidazol-1-yl)propyl 3,5-dimethylbenzoate
CID 16523706
3-[3-(3-aminopropylsulfanyl)propyl]-1H-benzimidazol-2-one
CID 66219529
3-(2-oxo-3H-benzimidazol-1-yl)propyl 1H-indole-3-carboxylate
CID 47094352

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminooxypropyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(3-aminooxypropyl)-1H-benzimidazol-2-one (CID 106938634) is 3-(3-aminooxypropyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(3-aminooxypropyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(3-aminooxypropyl)-1H-benzimidazol-2-one is NOCCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-(3-aminooxypropyl)-1H-benzimidazol-2-one?
The InChIKey is YGJHWFMOSXVZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-15-7-3-6-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7,11H2,(H,12,14).
What are the key properties of 3-(3-aminooxypropyl)-1H-benzimidazol-2-one?
3-(3-aminooxypropyl)-1H-benzimidazol-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminooxypropyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 106938634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).