2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide

C11H12FIN4O — CID 66102164

IUPAC2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(N)nc2cc(I)c(F)cc21
InChIInChI=1S/C11H12FIN4O/c1-5(10(18)15-2)17-9-3-6(12)7(13)4-8(9)16-11(17)14/h3-5H,1-2H3,(H2,14,16)(H,15,18)
InChIKeyHJIDHDIDJQRQKM-UHFFFAOYSA-N
MW362.15 g/mol
LogP1.67
Rot. Bonds2

About 2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide

2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide (PubChem CID 66102164) has the molecular formula C11H12FIN4O and a molecular weight of 362.15 g/mol. Its IUPAC name is 2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide
PubChem CID66102164
Molecular FormulaC11H12FIN4O
Molecular Weight362.15 g/mol
Exact Mass362.00
IUPAC Name2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)C(C)n1c(N)nc2cc(I)c(F)cc21
InChIInChI=1S/C11H12FIN4O/c1-5(10(18)15-2)17-9-3-6(12)7(13)4-8(9)16-11(17)14/h3-5H,1-2H3,(H2,14,16)(H,15,18)
InChIKeyHJIDHDIDJQRQKM-UHFFFAOYSA-N
XLogP1.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide 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-(2-chloroethyl)-6-fluoro-5-iodobenzimidazol-1-yl]-N-methylpropanamide
CID 66093641
1-(3,3-dimethylbutan-2-yl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 104829013
6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine
CID 66102154
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide
CID 116738488
6-fluoro-5-iodo-1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine
CID 66101202
2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide
CID 54950785
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)propanoate
CID 66076580
2-[2-(1-chloroethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N-methylpropanamide
CID 103593496
6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
CID 66102345
methyl 2-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
CID 62377357
3-(2-amino-5,6-dimethylbenzimidazol-1-yl)butan-2-one
CID 82359054
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 82359191

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide?
The IUPAC name of 2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide (CID 66102164) is 2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for 2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide?
The canonical SMILES for 2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide is CNC(=O)C(C)n1c(N)nc2cc(I)c(F)cc21.
What is the InChIKey of 2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide?
The InChIKey is HJIDHDIDJQRQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FIN4O/c1-5(10(18)15-2)17-9-3-6(12)7(13)4-8(9)16-11(17)14/h3-5H,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide?
2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide has a molecular weight of 362.15 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 66102164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).