O-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine

C11H15N3O — CID 117293702

IUPACO-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine
SMILESCc1nc2cccc(CCON)c2n1C
InChIInChI=1S/C11H15N3O/c1-8-13-10-5-3-4-9(6-7-15-12)11(10)14(8)2/h3-5H,6-7,12H2,1-2H3
InChIKeyCUTSWKUECGIZDA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.31
Rot. Bonds3

About O-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine

O-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine (PubChem CID 117293702) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is O-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine
PubChem CID117293702
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameO-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine
SMILESCc1nc2cccc(CCON)c2n1C
InChIInChI=1S/C11H15N3O/c1-8-13-10-5-3-4-9(6-7-15-12)11(10)14(8)2/h3-5H,6-7,12H2,1-2H3
InChIKeyCUTSWKUECGIZDA-UHFFFAOYSA-N
XLogP1.31
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.31
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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Related Compounds

1-[(2,3-dimethylbenzimidazol-4-yl)methyl]cyclopropan-1-amine
CID 117307071
[3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359751
1,2-dimethyl-7-(piperidin-3-ylmethyl)benzimidazole
CID 117360765
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine
CID 117338878
5-decyl-2,3-dimethylquinazolin-4-one
CID 175348945
O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine
CID 117302285
1-(7-ethyl-1-methylbenzimidazol-2-yl)ethanone
CID 84619903
1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
CID 115552278
O-[2-(3-chloro-1-methylindol-4-yl)ethyl]hydroxylamine
CID 117322623
N-(2,3-dimethylbenzimidazol-4-yl)-2-(4-methoxy-3-pyridinyl)ethanethioamide
CID 147046325
O-[2-(2-methoxy-3-pyridinyl)ethyl]hydroxylamine
CID 70307544

Frequently Asked Questions

What is the IUPAC name of O-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine (CID 117293702) is O-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine is Cc1nc2cccc(CCON)c2n1C.
What is the InChIKey of O-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine?
The InChIKey is CUTSWKUECGIZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8-13-10-5-3-4-9(6-7-15-12)11(10)14(8)2/h3-5H,6-7,12H2,1-2H3.
What are the key properties of O-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine?
O-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine has a molecular weight of 205.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2,3-dimethylbenzimidazol-4-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117293702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).