1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole

C19H15Cl3N2S — CID 19843308

IUPAC1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole
SMILESClc1ccc(CC2(Cn3ccnc3)SCc3cc(Cl)ccc32)c(Cl)c1
InChIInChI=1S/C19H15Cl3N2S/c20-15-3-4-17-14(7-15)10-25-19(17,11-24-6-5-23-12-24)9-13-1-2-16(21)8-18(13)22/h1-8,12H,9-11H2
InChIKeyOUPNOTSSESOMIF-UHFFFAOYSA-N
MW409.77 g/mol
LogP6.23
Rot. Bonds4

About 1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole

1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole (PubChem CID 19843308) has the molecular formula C19H15Cl3N2S and a molecular weight of 409.77 g/mol. Its IUPAC name is 1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole
PubChem CID19843308
Molecular FormulaC19H15Cl3N2S
Molecular Weight409.77 g/mol
Exact Mass408.00
IUPAC Name1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole
SMILESClc1ccc(CC2(Cn3ccnc3)SCc3cc(Cl)ccc32)c(Cl)c1
InChIInChI=1S/C19H15Cl3N2S/c20-15-3-4-17-14(7-15)10-25-19(17,11-24-6-5-23-12-24)9-13-1-2-16(21)8-18(13)22/h1-8,12H,9-11H2
InChIKeyOUPNOTSSESOMIF-UHFFFAOYSA-N
XLogP6.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.77
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]imidazole
CID 2783908
1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole
CID 20518671
1-[2-[2-(2,4-dichlorophenyl)-5-ethyl-1,3-dithian-2-yl]ethyl]imidazole
CID 20518434
1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole
CID 22285361
[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 794639
[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 794641
1-[[2-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 13208069
1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402379
1-[(6-chloro-2,3-dihydro-1-benzothiophen-2-yl)methyl]imidazole
CID 54123992
2-[(2,4-dichlorophenyl)methyl]-1-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 18914329
2-[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 13368471
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole?
The IUPAC name of 1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole (CID 19843308) is 1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole.
What is the SMILES notation for 1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole?
The canonical SMILES for 1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole is Clc1ccc(CC2(Cn3ccnc3)SCc3cc(Cl)ccc32)c(Cl)c1.
What is the InChIKey of 1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole?
The InChIKey is OUPNOTSSESOMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2S/c20-15-3-4-17-14(7-15)10-25-19(17,11-24-6-5-23-12-24)9-13-1-2-16(21)8-18(13)22/h1-8,12H,9-11H2.
What are the key properties of 1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole?
1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole has a molecular weight of 409.77 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-1-[(2,4-dichlorophenyl)methyl]-3H-2-benzothiophen-1-yl]methyl]imidazole is sourced from PubChem (CID 19843308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).