1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine

C12H17N3O — CID 104765902

IUPAC1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine
SMILESCOC(C)(C)Cn1cnc2cc(N)ccc21
InChIInChI=1S/C12H17N3O/c1-12(2,16-3)7-15-8-14-10-6-9(13)4-5-11(10)15/h4-6,8H,7,13H2,1-3H3
InChIKeyTWTCAWYWQPRTCD-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.04
Rot. Bonds3

About 1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine

1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine (PubChem CID 104765902) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine
PubChem CID104765902
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine
SMILESCOC(C)(C)Cn1cnc2cc(N)ccc21
InChIInChI=1S/C12H17N3O/c1-12(2,16-3)7-15-8-14-10-6-9(13)4-5-11(10)15/h4-6,8H,7,13H2,1-3H3
InChIKeyTWTCAWYWQPRTCD-UHFFFAOYSA-N
XLogP2.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine (CID 104765902) is 1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine is COC(C)(C)Cn1cnc2cc(N)ccc21.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine?
The InChIKey is TWTCAWYWQPRTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(2,16-3)7-15-8-14-10-6-9(13)4-5-11(10)15/h4-6,8H,7,13H2,1-3H3.
What are the key properties of 1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine?
1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine has a molecular weight of 219.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)benzimidazol-5-amine is sourced from PubChem (CID 104765902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).