6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine

C13H15FIN3 — CID 114108848

IUPAC6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine
SMILESCC1(Cn2c(N)nc3cc(I)c(F)cc32)CCC1
InChIInChI=1S/C13H15FIN3/c1-13(3-2-4-13)7-18-11-5-8(14)9(15)6-10(11)17-12(18)16/h5-6H,2-4,7H2,1H3,(H2,16,17)
InChIKeyXWEZDPRZLBUQQF-UHFFFAOYSA-N
MW359.19 g/mol
LogP3.55
Rot. Bonds2

About 6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine

6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine (PubChem CID 114108848) has the molecular formula C13H15FIN3 and a molecular weight of 359.19 g/mol. Its IUPAC name is 6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine
PubChem CID114108848
Molecular FormulaC13H15FIN3
Molecular Weight359.19 g/mol
Exact Mass359.03
IUPAC Name6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine
SMILESCC1(Cn2c(N)nc3cc(I)c(F)cc32)CCC1
InChIInChI=1S/C13H15FIN3/c1-13(3-2-4-13)7-18-11-5-8(14)9(15)6-10(11)17-12(18)16/h5-6H,2-4,7H2,1H3,(H2,16,17)
InChIKeyXWEZDPRZLBUQQF-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 114101070
1-(1-ethylcyclobutyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 113488932
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
6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine
CID 66100609
6-fluoro-5-iodo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 66100782
6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine
CID 66101386
1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101204
1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66100812
6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66099992
5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide
CID 106239994
6-fluoro-5-iodo-1-(3-methylbutan-2-yl)benzimidazol-2-amine
CID 66102154

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine?
The IUPAC name of 6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine (CID 114108848) is 6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine is CC1(Cn2c(N)nc3cc(I)c(F)cc32)CCC1.
What is the InChIKey of 6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine?
The InChIKey is XWEZDPRZLBUQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FIN3/c1-13(3-2-4-13)7-18-11-5-8(14)9(15)6-10(11)17-12(18)16/h5-6H,2-4,7H2,1H3,(H2,16,17).
What are the key properties of 6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine?
6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine has a molecular weight of 359.19 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 114108848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).