2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine

C15H17N3O — CID 62506379

IUPAC2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C(C)c1ccco1
InChIInChI=1S/C15H17N3O/c1-3-15-17-12-9-11(16)6-7-13(12)18(15)10(2)14-5-4-8-19-14/h4-10H,3,16H2,1-2H3
InChIKeyFODDRAOOOLYDJL-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.38
Rot. Bonds3

About 2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine

2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine (PubChem CID 62506379) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine
PubChem CID62506379
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1C(C)c1ccco1
InChIInChI=1S/C15H17N3O/c1-3-15-17-12-9-11(16)6-7-13(12)18(15)10(2)14-5-4-8-19-14/h4-10H,3,16H2,1-2H3
InChIKeyFODDRAOOOLYDJL-UHFFFAOYSA-N
XLogP3.38
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]-2-ethylbenzimidazol-5-amine
CID 62508046
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylbenzimidazol-5-amine
CID 62508571
2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]-5-methylbenzimidazole
CID 43661155
5-chloro-2-(chloromethyl)-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 43659782
1-(3,3-dimethylbutan-2-yl)-2-ethylbenzimidazol-5-amine
CID 113458050
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-ethylbenzimidazol-5-amine
CID 62507585
5-chloro-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66109631
2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 62376171
2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine
CID 62507078
5-bromo-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66085957
1-pentan-2-yl-2-propylbenzimidazol-5-amine
CID 55079982
[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol
CID 62595467

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine (CID 62506379) is 2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1C(C)c1ccco1.
What is the InChIKey of 2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine?
The InChIKey is FODDRAOOOLYDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-15-17-12-9-11(16)6-7-13(12)18(15)10(2)14-5-4-8-19-14/h4-10H,3,16H2,1-2H3.
What are the key properties of 2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine?
2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine has a molecular weight of 255.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(furan-2-yl)ethyl]benzimidazol-5-amine is sourced from PubChem (CID 62506379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).