2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine

C13H12IN5 — CID 66320697

IUPAC2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2ccccc2n1-c1ncncc1I
InChIInChI=1S/C13H12IN5/c14-9-7-16-8-17-13(9)19-11-4-2-1-3-10(11)18-12(19)5-6-15/h1-4,7-8H,5-6,15H2
InChIKeyUZUCPLNQQXGUCM-UHFFFAOYSA-N
MW365.18 g/mol
LogP1.92
Rot. Bonds3

About 2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine

2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine (PubChem CID 66320697) has the molecular formula C13H12IN5 and a molecular weight of 365.18 g/mol. Its IUPAC name is 2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine
PubChem CID66320697
Molecular FormulaC13H12IN5
Molecular Weight365.18 g/mol
Exact Mass365.01
IUPAC Name2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine
SMILESNCCc1nc2ccccc2n1-c1ncncc1I
InChIInChI=1S/C13H12IN5/c14-9-7-16-8-17-13(9)19-11-4-2-1-3-10(11)18-12(19)5-6-15/h1-4,7-8H,5-6,15H2
InChIKeyUZUCPLNQQXGUCM-UHFFFAOYSA-N
XLogP1.92
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine (CID 66320697) is 2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine is NCCc1nc2ccccc2n1-c1ncncc1I.
What is the InChIKey of 2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine?
The InChIKey is UZUCPLNQQXGUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12IN5/c14-9-7-16-8-17-13(9)19-11-4-2-1-3-10(11)18-12(19)5-6-15/h1-4,7-8H,5-6,15H2.
What are the key properties of 2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine?
2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine has a molecular weight of 365.18 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-iodopyrimidin-4-yl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 66320697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).