(2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite

C15H14IN3O — CID 145150337

IUPAC(2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite
SMILESIOc1ccc2c(ccc3[nH]c(C4CCCN4)nc32)c1
InChIInChI=1S/C15H14IN3O/c16-20-10-4-5-11-9(8-10)3-6-12-14(11)19-15(18-12)13-2-1-7-17-13/h3-6,8,13,17H,1-2,7H2,(H,18,19)
InChIKeyUCCVTIUGXYEPGY-UHFFFAOYSA-N
MW379.20 g/mol
LogP3.87
Rot. Bonds2

About (2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite

(2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite (PubChem CID 145150337) has the molecular formula C15H14IN3O and a molecular weight of 379.20 g/mol. Its IUPAC name is (2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite.

Molecular Properties

Compound Name(2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite
PubChem CID145150337
Molecular FormulaC15H14IN3O
Molecular Weight379.20 g/mol
Exact Mass379.02
IUPAC Name(2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite
SMILESIOc1ccc2c(ccc3[nH]c(C4CCCN4)nc32)c1
InChIInChI=1S/C15H14IN3O/c16-20-10-4-5-11-9(8-10)3-6-12-14(11)19-15(18-12)13-2-1-7-17-13/h3-6,8,13,17H,1-2,7H2,(H,18,19)
InChIKeyUCCVTIUGXYEPGY-UHFFFAOYSA-N
XLogP3.87
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite?
The IUPAC name of (2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite (CID 145150337) is (2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite.
What is the SMILES notation for (2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite?
The canonical SMILES for (2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite is IOc1ccc2c(ccc3[nH]c(C4CCCN4)nc32)c1.
What is the InChIKey of (2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite?
The InChIKey is UCCVTIUGXYEPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O/c16-20-10-4-5-11-9(8-10)3-6-12-14(11)19-15(18-12)13-2-1-7-17-13/h3-6,8,13,17H,1-2,7H2,(H,18,19).
What are the key properties of (2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite?
(2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite has a molecular weight of 379.20 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyrrolidin-2-yl-3H-benzo[e]benzimidazol-7-yl) hypoiodite is sourced from PubChem (CID 145150337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).