2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole

C35H23Br2N3 — CID 155555166

IUPAC2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
SMILESBrc1ccc(-n2c(-c3c(-c4cccc(Br)c4)[nH]c4ccccc34)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C35H23Br2N3/c36-26-18-20-28(21-19-26)40-34(24-12-5-2-6-13-24)33(23-10-3-1-4-11-23)39-35(40)31-29-16-7-8-17-30(29)38-32(31)25-14-9-15-27(37)22-25/h1-22,38H
InChIKeyJMGWQICZELGMMX-UHFFFAOYSA-N
MW645.40 g/mol
LogP10.55
Rot. Bonds5

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

2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole (PubChem CID 155555166) has the molecular formula C35H23Br2N3 and a molecular weight of 645.40 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
PubChem CID155555166
Molecular FormulaC35H23Br2N3
Molecular Weight645.40 g/mol
Exact Mass643.03
IUPAC Name2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
SMILESBrc1ccc(-n2c(-c3c(-c4cccc(Br)c4)[nH]c4ccccc34)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C35H23Br2N3/c36-26-18-20-28(21-19-26)40-34(24-12-5-2-6-13-24)33(23-10-3-1-4-11-23)39-35(40)31-29-16-7-8-17-30(29)38-32(31)25-14-9-15-27(37)22-25/h1-22,38H
InChIKeyJMGWQICZELGMMX-UHFFFAOYSA-N
XLogP10.55
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.40
LogP ≤ 510.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole?
The IUPAC name of 2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole (CID 155555166) is 2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole.
What is the SMILES notation for 2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole?
The canonical SMILES for 2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole is Brc1ccc(-n2c(-c3c(-c4cccc(Br)c4)[nH]c4ccccc34)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole?
The InChIKey is JMGWQICZELGMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23Br2N3/c36-26-18-20-28(21-19-26)40-34(24-12-5-2-6-13-24)33(23-10-3-1-4-11-23)39-35(40)31-29-16-7-8-17-30(29)38-32(31)25-14-9-15-27(37)22-25/h1-22,38H.
What are the key properties of 2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole?
2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole has a molecular weight of 645.40 g/mol, XLogP of 10.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-[1-(4-bromophenyl)-4,5-diphenylimidazol-2-yl]-1H-indole is sourced from PubChem (CID 155555166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).