4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole

C63H52Cl4N8S4 — CID 157056374

IUPAC4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole
SMILESCc1[nH]c(Cc2cccs2)nc1-c1ccc(Cl)c(Cl)c1.Cc1[nH]c(Cc2cccs2)nc1-c1ccc(Cl)cc1Cl.Cc1[nH]c(Cc2cccs2)nc1-c1ccccc1.c1csc(Cc2ncc(-c3ccc4ccccc4c3)[nH]2)c1
InChIInChI=1S/C18H14N2S.2C15H12Cl2N2S.C15H14N2S/c1-2-5-14-10-15(8-7-13(14)4-1)17-12-19-18(20-17)11-16-6-3-9-21-16;1-9-15(12-5-4-10(16)7-13(12)17)19-14(18-9)8-11-3-2-6-20-11;1-9-15(10-4-5-12(16)13(17)7-10)19-14(18-9)8-11-3-2-6-20-11;1-11-15(12-6-3-2-4-7-12)17-14(16-11)10-13-8-5-9-18-13/h1-10,12H,11H2,(H,19,20);2*2-7H,8H2,1H3,(H,18,19);2-9H,10H2,1H3,(H,16,17)
InChIKeyAAUOXJGFJYUPEH-UHFFFAOYSA-N
MW1191.24 g/mol
LogP19.61
Rot. Bonds12

About 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole

4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole (PubChem CID 157056374) has the molecular formula C63H52Cl4N8S4 and a molecular weight of 1191.24 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole
PubChem CID157056374
Molecular FormulaC63H52Cl4N8S4
Molecular Weight1191.24 g/mol
Exact Mass1188.20
IUPAC Name4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole
SMILESCc1[nH]c(Cc2cccs2)nc1-c1ccc(Cl)c(Cl)c1.Cc1[nH]c(Cc2cccs2)nc1-c1ccc(Cl)cc1Cl.Cc1[nH]c(Cc2cccs2)nc1-c1ccccc1.c1csc(Cc2ncc(-c3ccc4ccccc4c3)[nH]2)c1
InChIInChI=1S/C18H14N2S.2C15H12Cl2N2S.C15H14N2S/c1-2-5-14-10-15(8-7-13(14)4-1)17-12-19-18(20-17)11-16-6-3-9-21-16;1-9-15(12-5-4-10(16)7-13(12)17)19-14(18-9)8-11-3-2-6-20-11;1-9-15(10-4-5-12(16)13(17)7-10)19-14(18-9)8-11-3-2-6-20-11;1-11-15(12-6-3-2-4-7-12)17-14(16-11)10-13-8-5-9-18-13/h1-10,12H,11H2,(H,19,20);2*2-7H,8H2,1H3,(H,18,19);2-9H,10H2,1H3,(H,16,17)
InChIKeyAAUOXJGFJYUPEH-UHFFFAOYSA-N
XLogP19.61
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001191.24
LogP ≤ 519.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole (CID 157056374) is 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole is Cc1[nH]c(Cc2cccs2)nc1-c1ccc(Cl)c(Cl)c1.Cc1[nH]c(Cc2cccs2)nc1-c1ccc(Cl)cc1Cl.Cc1[nH]c(Cc2cccs2)nc1-c1ccccc1.c1csc(Cc2ncc(-c3ccc4ccccc4c3)[nH]2)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole?
The InChIKey is AAUOXJGFJYUPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2S.2C15H12Cl2N2S.C15H14N2S/c1-2-5-14-10-15(8-7-13(14)4-1)17-12-19-18(20-17)11-16-6-3-9-21-16;1-9-15(12-5-4-10(16)7-13(12)17)19-14(18-9)8-11-3-2-6-20-11;1-9-15(10-4-5-12(16)13(17)7-10)19-14(18-9)8-11-3-2-6-20-11;1-11-15(12-6-3-2-4-7-12)17-14(16-11)10-13-8-5-9-18-13/h1-10,12H,11H2,(H,19,20);2*2-7H,8H2,1H3,(H,18,19);2-9H,10H2,1H3,(H,16,17).
What are the key properties of 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole?
4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole has a molecular weight of 1191.24 g/mol, XLogP of 19.61, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;4-(3,4-dichlorophenyl)-5-methyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-methyl-4-phenyl-2-(thiophen-2-ylmethyl)-1H-imidazole;5-naphthalen-2-yl-2-(thiophen-2-ylmethyl)-1H-imidazole is sourced from PubChem (CID 157056374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).