5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole

C36H25Cl2N3O — CID 155562954

IUPAC5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
SMILESCOc1ccc(-n2c(-c3c(-c4ccc(Cl)cc4)[nH]c4ccc(Cl)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C36H25Cl2N3O/c1-42-29-19-17-28(18-20-29)41-35(25-10-6-3-7-11-25)34(23-8-4-2-5-9-23)40-36(41)32-30-22-27(38)16-21-31(30)39-33(32)24-12-14-26(37)15-13-24/h2-22,39H,1H3
InChIKeyXHULQOPGXDCBIS-UHFFFAOYSA-N
MW586.52 g/mol
LogP10.34
Rot. Bonds6

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

5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole (PubChem CID 155562954) has the molecular formula C36H25Cl2N3O and a molecular weight of 586.52 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
PubChem CID155562954
Molecular FormulaC36H25Cl2N3O
Molecular Weight586.52 g/mol
Exact Mass585.14
IUPAC Name5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole
SMILESCOc1ccc(-n2c(-c3c(-c4ccc(Cl)cc4)[nH]c4ccc(Cl)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C36H25Cl2N3O/c1-42-29-19-17-28(18-20-29)41-35(25-10-6-3-7-11-25)34(23-8-4-2-5-9-23)40-36(41)32-30-22-27(38)16-21-31(30)39-33(32)24-12-14-26(37)15-13-24/h2-22,39H,1H3
InChIKeyXHULQOPGXDCBIS-UHFFFAOYSA-N
XLogP10.34
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.52
LogP ≤ 510.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole?
The IUPAC name of 5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole (CID 155562954) is 5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole.
What is the SMILES notation for 5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole?
The canonical SMILES for 5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole is COc1ccc(-n2c(-c3c(-c4ccc(Cl)cc4)[nH]c4ccc(Cl)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole?
The InChIKey is XHULQOPGXDCBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25Cl2N3O/c1-42-29-19-17-28(18-20-29)41-35(25-10-6-3-7-11-25)34(23-8-4-2-5-9-23)40-36(41)32-30-22-27(38)16-21-31(30)39-33(32)24-12-14-26(37)15-13-24/h2-22,39H,1H3.
What are the key properties of 5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole?
5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole has a molecular weight of 586.52 g/mol, XLogP of 10.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chlorophenyl)-3-[1-(4-methoxyphenyl)-4,5-diphenylimidazol-2-yl]-1H-indole is sourced from PubChem (CID 155562954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).