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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Related Compounds

1-(2-methylpropyl)-4-propan-2-yloxybenzimidazol-2-amine
CID 113393510
4-methoxy-1-(2-propan-2-yloxyethyl)benzimidazol-2-amine
CID 113450500
2-[2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]ethoxy]acetamide
CID 106240573
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine
CID 106406007
1-(1,2,4-oxadiazol-3-ylmethyl)-4-propan-2-yloxybenzimidazol-2-amine
CID 106406074
1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 106240755
2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide
CID 106240033
2-[2-[2-(2-chloroethyl)-4-methylbenzimidazol-1-yl]ethoxy]acetamide
CID 106240669
2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide
CID 106240092
1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine
CID 104829021
2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide
CID 106240243
2-[2-(4-ethoxy-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide
CID 106236037

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).