1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine

C17H21N3O — CID 62508571

IUPAC1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C(C)c1cc(C)oc1C
InChIInChI=1S/C17H21N3O/c1-5-17-19-15-9-13(18)6-7-16(15)20(17)11(3)14-8-10(2)21-12(14)4/h6-9,11H,5,18H2,1-4H3
InChIKeySLROXONIRGOHEG-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.00
Rot. Bonds3

About 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine

1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine (PubChem CID 62508571) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine
PubChem CID62508571
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C(C)c1cc(C)oc1C
InChIInChI=1S/C17H21N3O/c1-5-17-19-15-9-13(18)6-7-16(15)20(17)11(3)14-8-10(2)21-12(14)4/h6-9,11H,5,18H2,1-4H3
InChIKeySLROXONIRGOHEG-UHFFFAOYSA-N
XLogP4.00
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol
CID 62595107
2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine
CID 62506379
1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine
CID 62508046
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine
CID 62507585
1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine
CID 113458050
2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine
CID 62507078
methyl 5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylimidazole-4-carboxylate
CID 103545187
[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol
CID 62595467
1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine
CID 63498452
2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine?
The IUPAC name of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine (CID 62508571) is 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine.
What is the SMILES notation for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine?
The canonical SMILES for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine is CCc1nc2cc(N)ccc2n1C(C)c1cc(C)oc1C.
What is the InChIKey of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine?
The InChIKey is SLROXONIRGOHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-5-17-19-15-9-13(18)6-7-16(15)20(17)11(3)14-8-10(2)21-12(14)4/h6-9,11H,5,18H2,1-4H3.
What are the key properties of 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine?
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine has a molecular weight of 283.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine is sourced from PubChem (CID 62508571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).