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

C15H19FIN3O — CID 66100812

IUPAC1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1CCOC1CCCCC1
InChIInChI=1S/C15H19FIN3O/c16-11-8-14-13(9-12(11)17)19-15(18)20(14)6-7-21-10-4-2-1-3-5-10/h8-10H,1-7H2,(H2,18,19)
InChIKeyYWAQILKSCHDNIM-UHFFFAOYSA-N
MW403.24 g/mol
LogP3.71
Rot. Bonds4

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

1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine (PubChem CID 66100812) has the molecular formula C15H19FIN3O and a molecular weight of 403.24 g/mol. Its IUPAC name is 1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine
PubChem CID66100812
Molecular FormulaC15H19FIN3O
Molecular Weight403.24 g/mol
Exact Mass403.06
IUPAC Name1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine
SMILESNc1nc2cc(I)c(F)cc2n1CCOC1CCCCC1
InChIInChI=1S/C15H19FIN3O/c16-11-8-14-13(9-12(11)17)19-15(18)20(14)6-7-21-10-4-2-1-3-5-10/h8-10H,1-7H2,(H2,18,19)
InChIKeyYWAQILKSCHDNIM-UHFFFAOYSA-N
XLogP3.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-(2-cyclohexyloxyethyl)benzimidazol-2-amine
CID 63826682
5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine
CID 63828806
6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine
CID 66101386
6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
CID 66102345
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
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
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
5-chloro-1-(2-cyclohexylethyl)-6-fluorobenzimidazol-2-amine
CID 66078119
6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine
CID 114108848

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine (CID 66100812) is 1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine is Nc1nc2cc(I)c(F)cc2n1CCOC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine?
The InChIKey is YWAQILKSCHDNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FIN3O/c16-11-8-14-13(9-12(11)17)19-15(18)20(14)6-7-21-10-4-2-1-3-5-10/h8-10H,1-7H2,(H2,18,19).
What are the key properties of 1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine?
1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine has a molecular weight of 403.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxyethyl)-6-fluoro-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 66100812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).