(6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone

C20H12I2N4O — CID 118899472

IUPAC(6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone
SMILESO=C(c1ncc(-c2c[nH]c3cc(I)ccc23)[nH]1)c1c[nH]c2cc(I)ccc12
InChIInChI=1S/C20H12I2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(26-18)19(27)15-8-24-17-6-11(22)2-4-13(15)17/h1-9,23-24H,(H,25,26)
InChIKeyBHLBUSBPPSMIQW-UHFFFAOYSA-N
MW578.15 g/mol
LogP5.48
Rot. Bonds3

About (6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone

(6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone (PubChem CID 118899472) has the molecular formula C20H12I2N4O and a molecular weight of 578.15 g/mol. Its IUPAC name is (6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone.

Molecular Properties

Compound Name(6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone
PubChem CID118899472
Molecular FormulaC20H12I2N4O
Molecular Weight578.15 g/mol
Exact Mass577.91
IUPAC Name(6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone
SMILESO=C(c1ncc(-c2c[nH]c3cc(I)ccc23)[nH]1)c1c[nH]c2cc(I)ccc12
InChIInChI=1S/C20H12I2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(26-18)19(27)15-8-24-17-6-11(22)2-4-13(15)17/h1-9,23-24H,(H,25,26)
InChIKeyBHLBUSBPPSMIQW-UHFFFAOYSA-N
XLogP5.48
TPSA77.33 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.15
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone?
The IUPAC name of (6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone (CID 118899472) is (6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone.
What is the SMILES notation for (6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone?
The canonical SMILES for (6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone is O=C(c1ncc(-c2c[nH]c3cc(I)ccc23)[nH]1)c1c[nH]c2cc(I)ccc12.
What is the InChIKey of (6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone?
The InChIKey is BHLBUSBPPSMIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12I2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(26-18)19(27)15-8-24-17-6-11(22)2-4-13(15)17/h1-9,23-24H,(H,25,26).
What are the key properties of (6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone?
(6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone has a molecular weight of 578.15 g/mol, XLogP of 5.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-iodo-1H-indol-3-yl)-[5-(6-iodo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone is sourced from PubChem (CID 118899472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).