1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine

C16H15FIN3 — CID 66101204

IUPAC1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
SMILESCCc1ccccc1Cn1c(N)nc2cc(I)c(F)cc21
InChIInChI=1S/C16H15FIN3/c1-2-10-5-3-4-6-11(10)9-21-15-7-12(17)13(18)8-14(15)20-16(21)19/h3-8H,2,9H2,1H3,(H2,19,20)
InChIKeyLPWGITPAOAYBLQ-UHFFFAOYSA-N
MW395.22 g/mol
LogP3.97
Rot. Bonds3

About 1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine

1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine (PubChem CID 66101204) has the molecular formula C16H15FIN3 and a molecular weight of 395.22 g/mol. Its IUPAC name is 1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
PubChem CID66101204
Molecular FormulaC16H15FIN3
Molecular Weight395.22 g/mol
Exact Mass395.03
IUPAC Name1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
SMILESCCc1ccccc1Cn1c(N)nc2cc(I)c(F)cc21
InChIInChI=1S/C16H15FIN3/c1-2-10-5-3-4-6-11(10)9-21-15-7-12(17)13(18)8-14(15)20-16(21)19/h3-8H,2,9H2,1H3,(H2,19,20)
InChIKeyLPWGITPAOAYBLQ-UHFFFAOYSA-N
XLogP3.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.22
LogP ≤ 53.97
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

1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101772
5-bromo-1-[(2-ethylphenyl)methyl]benzimidazol-2-amine
CID 64696156
6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66101378
6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
CID 66102345
2-[(2-amino-5,6-difluorobenzimidazol-1-yl)methyl]benzonitrile
CID 82359162
ethyl 3-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)propanoate
CID 66099433
5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66086491
1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 81287131
6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 116738009
6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazol-2-amine
CID 66100609
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine?
The IUPAC name of 1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine (CID 66101204) is 1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine.
What is the SMILES notation for 1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine?
The canonical SMILES for 1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine is CCc1ccccc1Cn1c(N)nc2cc(I)c(F)cc21.
What is the InChIKey of 1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine?
The InChIKey is LPWGITPAOAYBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FIN3/c1-2-10-5-3-4-6-11(10)9-21-15-7-12(17)13(18)8-14(15)20-16(21)19/h3-8H,2,9H2,1H3,(H2,19,20).
What are the key properties of 1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine?
1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine has a molecular weight of 395.22 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylphenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine is sourced from PubChem (CID 66101204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).