1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine

C13H15FIN3 — CID 113488932

IUPAC1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESCCC1(n2c(N)nc3cc(I)c(F)cc32)CCC1
InChIInChI=1S/C13H15FIN3/c1-2-13(4-3-5-13)18-11-6-8(14)9(15)7-10(11)17-12(18)16/h6-7H,2-5H2,1H3,(H2,16,17)
InChIKeyVLOHGGPCJBPKKM-UHFFFAOYSA-N
MW359.19 g/mol
LogP3.65
Rot. Bonds2

About 1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine

1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine (PubChem CID 113488932) has the molecular formula C13H15FIN3 and a molecular weight of 359.19 g/mol. Its IUPAC name is 1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine
PubChem CID113488932
Molecular FormulaC13H15FIN3
Molecular Weight359.19 g/mol
Exact Mass359.03
IUPAC Name1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESCCC1(n2c(N)nc3cc(I)c(F)cc32)CCC1
InChIInChI=1S/C13H15FIN3/c1-2-13(4-3-5-13)18-11-6-8(14)9(15)7-10(11)17-12(18)16/h6-7H,2-5H2,1H3,(H2,16,17)
InChIKeyVLOHGGPCJBPKKM-UHFFFAOYSA-N
XLogP3.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-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

6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine
CID 114108848
1-(1-ethylcyclobutyl)-5-methylbenzimidazol-2-amine
CID 113488927
6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine
CID 66102154
6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
CID 66102345
6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 66101974
1-(3,3-dimethylbutan-2-yl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 104829013
ethyl 3-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)propanoate
CID 66099433
6-fluoro-5-iodo-1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine
CID 66101202
1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101204
1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101762
6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine
CID 66100609
6-fluoro-5-iodo-1-(1-methylpiperidin-3-yl)benzimidazol-2-amine
CID 66101576

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine (CID 113488932) is 1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine is CCC1(n2c(N)nc3cc(I)c(F)cc32)CCC1.
What is the InChIKey of 1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The InChIKey is VLOHGGPCJBPKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FIN3/c1-2-13(4-3-5-13)18-11-6-8(14)9(15)7-10(11)17-12(18)16/h6-7H,2-5H2,1H3,(H2,16,17).
What are the key properties of 1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine?
1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine has a molecular weight of 359.19 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 113488932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).