2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide

C14H20N4O3 — CID 106240102

IUPAC2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide
SMILESCC(C)Oc1cccc2c1nc(N)n2CCOCC(N)=O
InChIInChI=1S/C14H20N4O3/c1-9(2)21-11-5-3-4-10-13(11)17-14(16)18(10)6-7-20-8-12(15)19/h3-5,9H,6-8H2,1-2H3,(H2,15,19)(H2,16,17)
InChIKeyLZYJULOASMAVSF-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.91
Rot. Bonds7

About 2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide

2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide (PubChem CID 106240102) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide
PubChem CID106240102
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide
SMILESCC(C)Oc1cccc2c1nc(N)n2CCOCC(N)=O
InChIInChI=1S/C14H20N4O3/c1-9(2)21-11-5-3-4-10-13(11)17-14(16)18(10)6-7-20-8-12(15)19/h3-5,9H,6-8H2,1-2H3,(H2,15,19)(H2,16,17)
InChIKeyLZYJULOASMAVSF-UHFFFAOYSA-N
XLogP0.91
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide (CID 106240102) is 2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide is CC(C)Oc1cccc2c1nc(N)n2CCOCC(N)=O.
What is the InChIKey of 2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide?
The InChIKey is LZYJULOASMAVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(2)21-11-5-3-4-10-13(11)17-14(16)18(10)6-7-20-8-12(15)19/h3-5,9H,6-8H2,1-2H3,(H2,15,19)(H2,16,17).
What are the key properties of 2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide?
2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide has a molecular weight of 292.34 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide is sourced from PubChem (CID 106240102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).