6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine

C12H15FIN3O2 — CID 66101386

IUPAC6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine
SMILESCOCCOCCn1c(N)nc2cc(I)c(F)cc21
InChIInChI=1S/C12H15FIN3O2/c1-18-4-5-19-3-2-17-11-6-8(13)9(14)7-10(11)16-12(17)15/h6-7H,2-5H2,1H3,(H2,15,16)
InChIKeyRGRVWFILXGCECK-UHFFFAOYSA-N
MW379.17 g/mol
LogP2.03
Rot. Bonds6

About 6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine

6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine (PubChem CID 66101386) has the molecular formula C12H15FIN3O2 and a molecular weight of 379.17 g/mol. Its IUPAC name is 6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine
PubChem CID66101386
Molecular FormulaC12H15FIN3O2
Molecular Weight379.17 g/mol
Exact Mass379.02
IUPAC Name6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine
SMILESCOCCOCCn1c(N)nc2cc(I)c(F)cc21
InChIInChI=1S/C12H15FIN3O2/c1-18-4-5-19-3-2-17-11-6-8(13)9(14)7-10(11)16-12(17)15/h6-7H,2-5H2,1H3,(H2,15,16)
InChIKeyRGRVWFILXGCECK-UHFFFAOYSA-N
XLogP2.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine
CID 103592868
6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
CID 66102345
ethyl 3-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)propanoate
CID 66099433
6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine
CID 66100609
1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66100812
5-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)pentanamide
CID 106239994
5-fluoro-6-iodo-3-[2-(2-methoxyethoxy)ethyl]-1H-benzimidazole-2-thione
CID 66099774
6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66099992
6-fluoro-5-iodo-1-(2-morpholin-4-ylethyl)benzimidazol-2-amine
CID 66100782
1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63597555
6-fluoro-5-iodo-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzimidazol-2-amine
CID 106406282
6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66101378

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine (CID 66101386) is 6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine is COCCOCCn1c(N)nc2cc(I)c(F)cc21.
What is the InChIKey of 6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine?
The InChIKey is RGRVWFILXGCECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FIN3O2/c1-18-4-5-19-3-2-17-11-6-8(13)9(14)7-10(11)16-12(17)15/h6-7H,2-5H2,1H3,(H2,15,16).
What are the key properties of 6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine?
6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine has a molecular weight of 379.17 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 66101386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).