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

C19H13BrN4 — CID 57403745

IUPAC6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2c(-c3ncc(-c4cc5ccccc5[nH]4)[nH]3)c[nH]c2c1
InChIInChI=1S/C19H13BrN4/c20-12-5-6-13-14(9-21-16(13)8-12)19-22-10-18(24-19)17-7-11-3-1-2-4-15(11)23-17/h1-10,21,23H,(H,22,24)
InChIKeyOMOAXZHUTLMGHL-UHFFFAOYSA-N
MW377.25 g/mol
LogP5.47
Rot. Bonds2

About 6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole

6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole (PubChem CID 57403745) has the molecular formula C19H13BrN4 and a molecular weight of 377.25 g/mol. Its IUPAC name is 6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole
PubChem CID57403745
Molecular FormulaC19H13BrN4
Molecular Weight377.25 g/mol
Exact Mass376.03
IUPAC Name6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole
SMILESBrc1ccc2c(-c3ncc(-c4cc5ccccc5[nH]4)[nH]3)c[nH]c2c1
InChIInChI=1S/C19H13BrN4/c20-12-5-6-13-14(9-21-16(13)8-12)19-22-10-18(24-19)17-7-11-3-1-2-4-15(11)23-17/h1-10,21,23H,(H,22,24)
InChIKeyOMOAXZHUTLMGHL-UHFFFAOYSA-N
XLogP5.47
TPSA60.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.25
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole (CID 57403745) is 6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole is Brc1ccc2c(-c3ncc(-c4cc5ccccc5[nH]4)[nH]3)c[nH]c2c1.
What is the InChIKey of 6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole?
The InChIKey is OMOAXZHUTLMGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4/c20-12-5-6-13-14(9-21-16(13)8-12)19-22-10-18(24-19)17-7-11-3-1-2-4-15(11)23-17/h1-10,21,23H,(H,22,24).
What are the key properties of 6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole?
6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole has a molecular weight of 377.25 g/mol, XLogP of 5.47, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[5-(1H-indol-2-yl)-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 57403745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).