6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine

C15H13FIN3O — CID 66101378

IUPAC6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine
SMILESCOc1cccc(Cn2c(N)nc3cc(I)c(F)cc32)c1
InChIInChI=1S/C15H13FIN3O/c1-21-10-4-2-3-9(5-10)8-20-14-6-11(16)12(17)7-13(14)19-15(20)18/h2-7H,8H2,1H3,(H2,18,19)
InChIKeyWPSSDTRHPKTNJS-UHFFFAOYSA-N
MW397.19 g/mol
LogP3.42
Rot. Bonds3

About 6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine

6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine (PubChem CID 66101378) has the molecular formula C15H13FIN3O and a molecular weight of 397.19 g/mol. Its IUPAC name is 6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine
PubChem CID66101378
Molecular FormulaC15H13FIN3O
Molecular Weight397.19 g/mol
Exact Mass397.01
IUPAC Name6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine
SMILESCOc1cccc(Cn2c(N)nc3cc(I)c(F)cc32)c1
InChIInChI=1S/C15H13FIN3O/c1-21-10-4-2-3-9(5-10)8-20-14-6-11(16)12(17)7-13(14)19-15(20)18/h2-7H,8H2,1H3,(H2,18,19)
InChIKeyWPSSDTRHPKTNJS-UHFFFAOYSA-N
XLogP3.42
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.19
LogP ≤ 53.42
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-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66086489
3-[2-amino-1-[(3-methoxyphenyl)methyl]benzimidazol-5-yl]propanoic acid
CID 11221058
1-[(2-bromophenyl)methyl]-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101772
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
5-iodo-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66080984
6-fluoro-1-[2-(4-fluorophenyl)ethyl]-5-iodobenzimidazol-2-amine
CID 66099992
(1S)-1-[5,6-dichloro-1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]-2-methylpropan-1-amine
CID 54758435
1-[2-(3-methoxyphenyl)ethyl]-6-methylbenzimidazol-2-amine
CID 107853170
2-(chloromethyl)-5-fluoro-1-[(3-methoxyphenyl)methyl]benzimidazole
CID 61029065
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
4-fluoro-5-iodo-2-[(3-methoxyphenyl)methoxy]aniline
CID 66100157

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine (CID 66101378) is 6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine is COc1cccc(Cn2c(N)nc3cc(I)c(F)cc32)c1.
What is the InChIKey of 6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine?
The InChIKey is WPSSDTRHPKTNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FIN3O/c1-21-10-4-2-3-9(5-10)8-20-14-6-11(16)12(17)7-13(14)19-15(20)18/h2-7H,8H2,1H3,(H2,18,19).
What are the key properties of 6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine?
6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine has a molecular weight of 397.19 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-iodo-1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 66101378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).