1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one

C19H13FIN3O — CID 169290780

IUPAC1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one
SMILESNc1c(I)cccc1-n1c(=O)n(-c2ccccc2F)c2ccccc21
InChIInChI=1S/C19H13FIN3O/c20-12-6-1-2-8-14(12)23-15-9-3-4-10-16(15)24(19(23)25)17-11-5-7-13(21)18(17)22/h1-11H,22H2
InChIKeyJLXDXVBWOOSMOC-UHFFFAOYSA-N
MW445.24 g/mol
LogP4.11
Rot. Bonds2

About 1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one

1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one (PubChem CID 169290780) has the molecular formula C19H13FIN3O and a molecular weight of 445.24 g/mol. Its IUPAC name is 1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one
PubChem CID169290780
Molecular FormulaC19H13FIN3O
Molecular Weight445.24 g/mol
Exact Mass445.01
IUPAC Name1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one
SMILESNc1c(I)cccc1-n1c(=O)n(-c2ccccc2F)c2ccccc21
InChIInChI=1S/C19H13FIN3O/c20-12-6-1-2-8-14(12)23-15-9-3-4-10-16(15)24(19(23)25)17-11-5-7-13(21)18(17)22/h1-11H,22H2
InChIKeyJLXDXVBWOOSMOC-UHFFFAOYSA-N
XLogP4.11
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.24
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one?
The IUPAC name of 1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one (CID 169290780) is 1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one.
What is the SMILES notation for 1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one?
The canonical SMILES for 1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one is Nc1c(I)cccc1-n1c(=O)n(-c2ccccc2F)c2ccccc21.
What is the InChIKey of 1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one?
The InChIKey is JLXDXVBWOOSMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FIN3O/c20-12-6-1-2-8-14(12)23-15-9-3-4-10-16(15)24(19(23)25)17-11-5-7-13(21)18(17)22/h1-11H,22H2.
What are the key properties of 1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one?
1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one has a molecular weight of 445.24 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-iodophenyl)-3-(2-fluorophenyl)benzimidazol-2-one is sourced from PubChem (CID 169290780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).