2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole

C29H26N2S2 — CID 57096784

IUPAC2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole
SMILESCC(C)(C)c1ccc(-c2cccc3sc(C4=NCCN4)c(-c4csc5ccccc45)c23)cc1
InChIInChI=1S/C29H26N2S2/c1-29(2,3)19-13-11-18(12-14-19)20-8-6-10-24-25(20)26(27(33-24)28-30-15-16-31-28)22-17-32-23-9-5-4-7-21(22)23/h4-14,17H,15-16H2,1-3H3,(H,30,31)
InChIKeySUASVPGWSXSOGX-UHFFFAOYSA-N
MW466.68 g/mol
LogP8.10
Rot. Bonds3

About 2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole

2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole (PubChem CID 57096784) has the molecular formula C29H26N2S2 and a molecular weight of 466.68 g/mol. Its IUPAC name is 2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole
PubChem CID57096784
Molecular FormulaC29H26N2S2
Molecular Weight466.68 g/mol
Exact Mass466.15
IUPAC Name2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole
SMILESCC(C)(C)c1ccc(-c2cccc3sc(C4=NCCN4)c(-c4csc5ccccc45)c23)cc1
InChIInChI=1S/C29H26N2S2/c1-29(2,3)19-13-11-18(12-14-19)20-8-6-10-24-25(20)26(27(33-24)28-30-15-16-31-28)22-17-32-23-9-5-4-7-21(22)23/h4-14,17H,15-16H2,1-3H3,(H,30,31)
InChIKeySUASVPGWSXSOGX-UHFFFAOYSA-N
XLogP8.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.68
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-naphthalen-1-ylphenyl)-4,5-dihydro-1H-imidazole
CID 10221130
2-[4-(4-tert-butylphenyl)-3-(2-methoxyethoxy)naphthalen-2-yl]-4,5-dihydro-1H-imidazole
CID 18476336
2-(3-butoxy-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole
CID 10149352
2-(4-tert-butylphenyl)-1,4,5,6-tetrahydropyrimidine
CID 154341199
N,N,4-tris[4-(1-benzothiophen-3-yl)phenyl]aniline
CID 164744658
1-N,4-N-bis[4-(1-benzothiophen-3-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59720651
azane;1,2-bis(1-benzothiophen-3-yl)dibenzothiophene
CID 146525628
1-[4-(trifluoromethyl)phenyl]dibenzothiophene
CID 158974890
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
4-N-[4-(1-benzothiophen-3-yl)phenyl]-4-N-[4-[4-[4-(1-benzothiophen-3-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59720656
N-[4-(1-benzothiophen-3-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-3-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59720641
N-tert-butyl-N-(4-tert-butylphenyl)-1-benzothiophen-3-amine
CID 176910613

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole (CID 57096784) is 2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole is CC(C)(C)c1ccc(-c2cccc3sc(C4=NCCN4)c(-c4csc5ccccc45)c23)cc1.
What is the InChIKey of 2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is SUASVPGWSXSOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2S2/c1-29(2,3)19-13-11-18(12-14-19)20-8-6-10-24-25(20)26(27(33-24)28-30-15-16-31-28)22-17-32-23-9-5-4-7-21(22)23/h4-14,17H,15-16H2,1-3H3,(H,30,31).
What are the key properties of 2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole?
2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 466.68 g/mol, XLogP of 8.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzothiophen-3-yl)-4-(4-tert-butylphenyl)-1-benzothiophen-2-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 57096784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).