1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one

C18H12INO — CID 65491106

IUPAC1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1Cc1ccc(I)cc1
InChIInChI=1S/C18H12INO/c19-14-9-7-12(8-10-14)11-20-16-6-2-4-13-3-1-5-15(17(13)16)18(20)21/h1-10H,11H2
InChIKeyJGCBNABVAMGRAZ-UHFFFAOYSA-N
MW385.20 g/mol
LogP4.60
Rot. Bonds2

About 1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one

1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one (PubChem CID 65491106) has the molecular formula C18H12INO and a molecular weight of 385.20 g/mol. Its IUPAC name is 1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one
PubChem CID65491106
Molecular FormulaC18H12INO
Molecular Weight385.20 g/mol
Exact Mass385.00
IUPAC Name1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1Cc1ccc(I)cc1
InChIInChI=1S/C18H12INO/c19-14-9-7-12(8-10-14)11-20-16-6-2-4-13-3-1-5-15(17(13)16)18(20)21/h1-10H,11H2
InChIKeyJGCBNABVAMGRAZ-UHFFFAOYSA-N
XLogP4.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.20
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one (CID 65491106) is 1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1Cc1ccc(I)cc1.
What is the InChIKey of 1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one?
The InChIKey is JGCBNABVAMGRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12INO/c19-14-9-7-12(8-10-14)11-20-16-6-2-4-13-3-1-5-15(17(13)16)18(20)21/h1-10H,11H2.
What are the key properties of 1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one?
1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one has a molecular weight of 385.20 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-iodophenyl)methyl]benzo[cd]indol-2-one is sourced from PubChem (CID 65491106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).