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

C13H19N3O — CID 104763156

IUPAC1-(2-methoxy-2-methylpropyl)-5-methylbenzimidazol-2-amine
SMILESCOC(C)(C)Cn1c(N)nc2cc(C)ccc21
InChIInChI=1S/C13H19N3O/c1-9-5-6-11-10(7-9)15-12(14)16(11)8-13(2,3)17-4/h5-7H,8H2,1-4H3,(H2,14,15)
InChIKeyZBIBOBLIOOKEDM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.35
Rot. Bonds3

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

1-(2-methoxy-2-methylpropyl)-5-methylbenzimidazol-2-amine (PubChem CID 104763156) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-5-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-5-methylbenzimidazol-2-amine
PubChem CID104763156
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(2-methoxy-2-methylpropyl)-5-methylbenzimidazol-2-amine
SMILESCOC(C)(C)Cn1c(N)nc2cc(C)ccc21
InChIInChI=1S/C13H19N3O/c1-9-5-6-11-10(7-9)15-12(14)16(11)8-13(2,3)17-4/h5-7H,8H2,1-4H3,(H2,14,15)
InChIKeyZBIBOBLIOOKEDM-UHFFFAOYSA-N
XLogP2.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-5-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-5-methylbenzimidazol-2-amine (CID 104763156) is 1-(2-methoxy-2-methylpropyl)-5-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-5-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-5-methylbenzimidazol-2-amine is COC(C)(C)Cn1c(N)nc2cc(C)ccc21.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-5-methylbenzimidazol-2-amine?
The InChIKey is ZBIBOBLIOOKEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-5-6-11-10(7-9)15-12(14)16(11)8-13(2,3)17-4/h5-7H,8H2,1-4H3,(H2,14,15).
What are the key properties of 1-(2-methoxy-2-methylpropyl)-5-methylbenzimidazol-2-amine?
1-(2-methoxy-2-methylpropyl)-5-methylbenzimidazol-2-amine has a molecular weight of 233.31 g/mol, XLogP of 2.35, 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)-5-methylbenzimidazol-2-amine is sourced from PubChem (CID 104763156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).