2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine

C16H23F2N3O — CID 94749356

IUPAC2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine
SMILESCCC(CC)c1nc2cc(F)c(F)cc2n1CCOCCN
InChIInChI=1S/C16H23F2N3O/c1-3-11(4-2)16-20-14-9-12(17)13(18)10-15(14)21(16)6-8-22-7-5-19/h9-11H,3-8,19H2,1-2H3
InChIKeySOWZPZSUHNNNSK-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.19
Rot. Bonds8

About 2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine

2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine (PubChem CID 94749356) has the molecular formula C16H23F2N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine
PubChem CID94749356
Molecular FormulaC16H23F2N3O
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine
SMILESCCC(CC)c1nc2cc(F)c(F)cc2n1CCOCCN
InChIInChI=1S/C16H23F2N3O/c1-3-11(4-2)16-20-14-9-12(17)13(18)10-15(14)21(16)6-8-22-7-5-19/h9-11H,3-8,19H2,1-2H3
InChIKeySOWZPZSUHNNNSK-UHFFFAOYSA-N
XLogP3.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine 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

2-[2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]ethanamine
CID 94748598
2-[2-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82146164
2-[2-[5,6-difluoro-2-(methoxymethyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82146284
3-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 62803527
2-[2-(2-cyclopropyl-5,6-difluorobenzimidazol-1-yl)ethoxy]ethanamine
CID 82146150
3-(5,6-dichloro-2-pentan-3-ylbenzimidazol-1-yl)propan-1-amine
CID 94749172
2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 82144555
1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole
CID 147971744
4-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)butan-1-amine
CID 82145615
2-(1-chloroethyl)-5,6-difluoro-1-(3-methoxypropyl)benzimidazole
CID 112752136
2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
CID 65220782
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(3-propoxypropyl)benzimidazole
CID 82941965

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine (CID 94749356) is 2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine is CCC(CC)c1nc2cc(F)c(F)cc2n1CCOCCN.
What is the InChIKey of 2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine?
The InChIKey is SOWZPZSUHNNNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O/c1-3-11(4-2)16-20-14-9-12(17)13(18)10-15(14)21(16)6-8-22-7-5-19/h9-11H,3-8,19H2,1-2H3.
What are the key properties of 2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine?
2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine has a molecular weight of 311.38 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,6-difluoro-2-pentan-3-ylbenzimidazol-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 94749356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).