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

C20H12Br2N4O — CID 118899471

IUPAC(5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone
SMILESO=C(c1ncc(-c2c[nH]c3ccc(Br)cc23)[nH]1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C20H12Br2N4O/c21-10-1-3-16-12(5-10)14(7-23-16)18-9-25-20(26-18)19(27)15-8-24-17-4-2-11(22)6-13(15)17/h1-9,23-24H,(H,25,26)
InChIKeyDKGQNVRGMZLSFI-UHFFFAOYSA-N
MW484.15 g/mol
LogP5.80
Rot. Bonds3

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

(5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone (PubChem CID 118899471) has the molecular formula C20H12Br2N4O and a molecular weight of 484.15 g/mol. Its IUPAC name is (5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone
PubChem CID118899471
Molecular FormulaC20H12Br2N4O
Molecular Weight484.15 g/mol
Exact Mass481.94
IUPAC Name(5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone
SMILESO=C(c1ncc(-c2c[nH]c3ccc(Br)cc23)[nH]1)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C20H12Br2N4O/c21-10-1-3-16-12(5-10)14(7-23-16)18-9-25-20(26-18)19(27)15-8-24-17-4-2-11(22)6-13(15)17/h1-9,23-24H,(H,25,26)
InChIKeyDKGQNVRGMZLSFI-UHFFFAOYSA-N
XLogP5.80
TPSA77.33 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.15
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone?
The IUPAC name of (5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone (CID 118899471) is (5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone.
What is the SMILES notation for (5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone?
The canonical SMILES for (5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone is O=C(c1ncc(-c2c[nH]c3ccc(Br)cc23)[nH]1)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of (5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone?
The InChIKey is DKGQNVRGMZLSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2N4O/c21-10-1-3-16-12(5-10)14(7-23-16)18-9-25-20(26-18)19(27)15-8-24-17-4-2-11(22)6-13(15)17/h1-9,23-24H,(H,25,26).
What are the key properties of (5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone?
(5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone has a molecular weight of 484.15 g/mol, XLogP of 5.80, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-3-yl)-[5-(5-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone is sourced from PubChem (CID 118899471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).