5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide

C12H14FIN4O — CID 106239994

IUPAC5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide
SMILESNC(=O)CCCCn1c(N)nc2cc(I)c(F)cc21
InChIInChI=1S/C12H14FIN4O/c13-7-5-10-9(6-8(7)14)17-12(16)18(10)4-2-1-3-11(15)19/h5-6H,1-4H2,(H2,15,19)(H2,16,17)
InChIKeyQLUIUUSAHGIOGP-UHFFFAOYSA-N
MW376.17 g/mol
LogP2.02
Rot. Bonds5

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

5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide (PubChem CID 106239994) has the molecular formula C12H14FIN4O and a molecular weight of 376.17 g/mol. Its IUPAC name is 5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide.

Molecular Properties

Compound Name5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide
PubChem CID106239994
Molecular FormulaC12H14FIN4O
Molecular Weight376.17 g/mol
Exact Mass376.02
IUPAC Name5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide
SMILESNC(=O)CCCCn1c(N)nc2cc(I)c(F)cc21
InChIInChI=1S/C12H14FIN4O/c13-7-5-10-9(6-8(7)14)17-12(16)18(10)4-2-1-3-11(15)19/h5-6H,1-4H2,(H2,15,19)(H2,16,17)
InChIKeyQLUIUUSAHGIOGP-UHFFFAOYSA-N
XLogP2.02
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.17
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
ethyl 3-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)propanoate
CID 66099433
3-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 79400989
4-(2-amino-5,6-difluorobenzimidazol-1-yl)butanoic acid
CID 82359205
6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine
CID 66100609
6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
CID 66102345
6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine
CID 66101386
6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66099992
5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide
CID 106239939
6-fluoro-5-iodo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 66100782
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406282
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406214

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide?
The IUPAC name of 5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide (CID 106239994) is 5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide.
What is the SMILES notation for 5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide?
The canonical SMILES for 5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide is NC(=O)CCCCn1c(N)nc2cc(I)c(F)cc21.
What is the InChIKey of 5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide?
The InChIKey is QLUIUUSAHGIOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FIN4O/c13-7-5-10-9(6-8(7)14)17-12(16)18(10)4-2-1-3-11(15)19/h5-6H,1-4H2,(H2,15,19)(H2,16,17).
What are the key properties of 5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide?
5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide has a molecular weight of 376.17 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide is sourced from PubChem (CID 106239994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).