2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide

C14H20N4O2 — CID 106240243

IUPAC2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide
SMILESCC(C)c1nc2cc(N)ccc2n1CCOCC(N)=O
InChIInChI=1S/C14H20N4O2/c1-9(2)14-17-11-7-10(15)3-4-12(11)18(14)5-6-20-8-13(16)19/h3-4,7,9H,5-6,8,15H2,1-2H3,(H2,16,19)
InChIKeyRQEUEKGVXVPNIQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.24
Rot. Bonds6

About 2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide

2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide (PubChem CID 106240243) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide
PubChem CID106240243
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide
SMILESCC(C)c1nc2cc(N)ccc2n1CCOCC(N)=O
InChIInChI=1S/C14H20N4O2/c1-9(2)14-17-11-7-10(15)3-4-12(11)18(14)5-6-20-8-13(16)19/h3-4,7,9H,5-6,8,15H2,1-2H3,(H2,16,19)
InChIKeyRQEUEKGVXVPNIQ-UHFFFAOYSA-N
XLogP1.24
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide
CID 106240491
2-[2-[2-(1-chloroethyl)-5-iodobenzimidazol-1-yl]ethoxy]acetamide
CID 106240496
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
N-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethyl]acetamide
CID 62507368
1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
CID 55091268
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62640082
2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide
CID 106240033
2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide
CID 106240233
2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
CID 62993400
methyl 3-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]propanoate
CID 55091800
1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol
CID 106008330

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide (CID 106240243) is 2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide is CC(C)c1nc2cc(N)ccc2n1CCOCC(N)=O.
What is the InChIKey of 2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide?
The InChIKey is RQEUEKGVXVPNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)14-17-11-7-10(15)3-4-12(11)18(14)5-6-20-8-13(16)19/h3-4,7,9H,5-6,8,15H2,1-2H3,(H2,16,19).
What are the key properties of 2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide?
2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide is sourced from PubChem (CID 106240243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).