1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole

C29H20N2S — CID 156553212

IUPAC1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole
SMILESc1ccc(-c2ncn(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C29H20N2S/c1-4-12-21(13-5-1)26-27(31(20-30-26)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22/h1-20H
InChIKeyRKEINIRMXFORQA-UHFFFAOYSA-N
MW428.56 g/mol
LogP8.09
Rot. Bonds4

About 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole

1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole (PubChem CID 156553212) has the molecular formula C29H20N2S and a molecular weight of 428.56 g/mol. Its IUPAC name is 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole.

Molecular Properties

Compound Name1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole
PubChem CID156553212
Molecular FormulaC29H20N2S
Molecular Weight428.56 g/mol
Exact Mass428.13
IUPAC Name1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole
SMILESc1ccc(-c2ncn(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C29H20N2S/c1-4-12-21(13-5-1)26-27(31(20-30-26)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22/h1-20H
InChIKeyRKEINIRMXFORQA-UHFFFAOYSA-N
XLogP8.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole?
The IUPAC name of 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole (CID 156553212) is 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole.
What is the SMILES notation for 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole?
The canonical SMILES for 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole is c1ccc(-c2ncn(-c3ccccc3)c2-c2sc(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole?
The InChIKey is RKEINIRMXFORQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N2S/c1-4-12-21(13-5-1)26-27(31(20-30-26)23-16-8-3-9-17-23)29-25-19-11-10-18-24(25)28(32-29)22-14-6-2-7-15-22/h1-20H.
What are the key properties of 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole?
1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole has a molecular weight of 428.56 g/mol, XLogP of 8.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-5-(3-phenyl-2-benzothiophen-1-yl)imidazole is sourced from PubChem (CID 156553212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).