3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole

C23H14Br3N3 — CID 11180628

IUPAC3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
SMILESBrc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H14Br3N3/c24-15-5-1-13(2-6-15)21-22(14-3-7-16(25)8-4-14)29-23(28-21)19-12-27-20-10-9-17(26)11-18(19)20/h1-12,27H,(H,28,29)
InChIKeyRTCNGZPSDNORKU-UHFFFAOYSA-N
MW572.10 g/mol
LogP8.18
Rot. Bonds3

About 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole

3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole (PubChem CID 11180628) has the molecular formula C23H14Br3N3 and a molecular weight of 572.10 g/mol. Its IUPAC name is 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole.

Molecular Properties

Compound Name3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
PubChem CID11180628
Molecular FormulaC23H14Br3N3
Molecular Weight572.10 g/mol
Exact Mass568.87
IUPAC Name3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
SMILESBrc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H14Br3N3/c24-15-5-1-13(2-6-15)21-22(14-3-7-16(25)8-4-14)29-23(28-21)19-12-27-20-10-9-17(26)11-18(19)20/h1-12,27H,(H,28,29)
InChIKeyRTCNGZPSDNORKU-UHFFFAOYSA-N
XLogP8.18
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.10
LogP ≤ 58.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The IUPAC name of 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole (CID 11180628) is 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole.
What is the SMILES notation for 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The canonical SMILES for 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole is Brc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The InChIKey is RTCNGZPSDNORKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Br3N3/c24-15-5-1-13(2-6-15)21-22(14-3-7-16(25)8-4-14)29-23(28-21)19-12-27-20-10-9-17(26)11-18(19)20/h1-12,27H,(H,28,29).
What are the key properties of 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole has a molecular weight of 572.10 g/mol, XLogP of 8.18, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(4-bromophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole is sourced from PubChem (CID 11180628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).