O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine

C13H19N3O — CID 117338878

IUPACO-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine
SMILESCc1nc2cc(CCON)ccc2n1C(C)C
InChIInChI=1S/C13H19N3O/c1-9(2)16-10(3)15-12-8-11(6-7-17-14)4-5-13(12)16/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeySZUPOCRWKIZNKG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.36
Rot. Bonds4

About O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine

O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine (PubChem CID 117338878) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine
PubChem CID117338878
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameO-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine
SMILESCc1nc2cc(CCON)ccc2n1C(C)C
InChIInChI=1S/C13H19N3O/c1-9(2)16-10(3)15-12-8-11(6-7-17-14)4-5-13(12)16/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeySZUPOCRWKIZNKG-UHFFFAOYSA-N
XLogP2.36
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.36
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

4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butan-1-amine
CID 96675145
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propanal
CID 117332811
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
CID 117336784
2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786059
5-(methoxymethyl)-1-propan-2-ylbenzimidazol-2-amine
CID 141375297
2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide
CID 110786068
2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786066
N,N-dimethyl-1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethane-1,2-diamine
CID 82500695
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-4-carboxamide
CID 110786086
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide
CID 110786061
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 82333475
N-butyl-N-methyl-2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773275

Frequently Asked Questions

What is the IUPAC name of O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine (CID 117338878) is O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine is Cc1nc2cc(CCON)ccc2n1C(C)C.
What is the InChIKey of O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine?
The InChIKey is SZUPOCRWKIZNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)16-10(3)15-12-8-11(6-7-17-14)4-5-13(12)16/h4-5,8-9H,6-7,14H2,1-3H3.
What are the key properties of O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine?
O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine has a molecular weight of 233.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)ethyl]hydroxylamine is sourced from PubChem (CID 117338878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).