2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide

C14H20N4O2 — CID 106346313

IUPAC2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide
SMILESCCOc1cccc2c1nc(N)n2C(C(N)=O)C(C)C
InChIInChI=1S/C14H20N4O2/c1-4-20-10-7-5-6-9-11(10)17-14(16)18(9)12(8(2)3)13(15)19/h5-8,12H,4H2,1-3H3,(H2,15,19)(H2,16,17)
InChIKeyVWHBGVQPISTWJG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.70
Rot. Bonds5

About 2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide

2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide (PubChem CID 106346313) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide
PubChem CID106346313
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide
SMILESCCOc1cccc2c1nc(N)n2C(C(N)=O)C(C)C
InChIInChI=1S/C14H20N4O2/c1-4-20-10-7-5-6-9-11(10)17-14(16)18(9)12(8(2)3)13(15)19/h5-8,12H,4H2,1-3H3,(H2,15,19)(H2,16,17)
InChIKeyVWHBGVQPISTWJG-UHFFFAOYSA-N
XLogP1.70
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-4-ethoxybenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
CID 103112206
2-[2-(2-chloroethyl)-4-methoxybenzimidazol-1-yl]-3-methylbutanamide
CID 106346422
1-(3,3-dimethylbutan-2-yl)-4-propan-2-yloxybenzimidazol-2-amine
CID 104829021
1-(2-bromo-3-chlorophenyl)-4-ethoxybenzimidazol-2-amine
CID 103480612
4-ethoxy-1-[(2-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 113463958
2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]propanamide
CID 113393109
1-(4-chloro-2-iodophenyl)-4-ethoxybenzimidazol-2-amine
CID 107637356
1-(1-cyclopropylpropan-2-yl)-4-methoxybenzimidazol-2-amine
CID 113393056
2-chloro-2-(2,6-diethoxyphenyl)acetamide
CID 70093878
4-ethoxy-1-(2-thiomorpholin-4-ylethyl)benzimidazol-2-amine
CID 106326378
1-(3-bromo-5-methylphenyl)-4-ethoxybenzimidazol-2-amine
CID 107575930
2-(1-chloroethyl)-4-ethoxy-1-(2-methylpropyl)benzimidazole
CID 113393086

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide?
The IUPAC name of 2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide (CID 106346313) is 2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide?
The canonical SMILES for 2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide is CCOc1cccc2c1nc(N)n2C(C(N)=O)C(C)C.
What is the InChIKey of 2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide?
The InChIKey is VWHBGVQPISTWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-20-10-7-5-6-9-11(10)17-14(16)18(9)12(8(2)3)13(15)19/h5-8,12H,4H2,1-3H3,(H2,15,19)(H2,16,17).
What are the key properties of 2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide?
2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide has a molecular weight of 276.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-ethoxybenzimidazol-1-yl)-3-methylbutanamide is sourced from PubChem (CID 106346313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).