2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole

C36H34N4S4 — CID 110194681

IUPAC2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole
SMILESCc1cc(-c2nc(-c3ccc(-c4nc(-c5cc(C)sc5C)c(-c5cc(C)sc5C)[nH]4)cc3)[nH]c2-c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C36H34N4S4/c1-17-13-27(21(5)41-17)31-32(28-14-18(2)42-22(28)6)38-35(37-31)25-9-11-26(12-10-25)36-39-33(29-15-19(3)43-23(29)7)34(40-36)30-16-20(4)44-24(30)8/h9-16H,1-8H3,(H,37,38)(H,39,40)
InChIKeyLKIDZKGSTOOTSZ-UHFFFAOYSA-N
MW650.96 g/mol
LogP11.85
Rot. Bonds6

About 2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole

2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole (PubChem CID 110194681) has the molecular formula C36H34N4S4 and a molecular weight of 650.96 g/mol. Its IUPAC name is 2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole.

Molecular Properties

Compound Name2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole
PubChem CID110194681
Molecular FormulaC36H34N4S4
Molecular Weight650.96 g/mol
Exact Mass650.17
IUPAC Name2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole
SMILESCc1cc(-c2nc(-c3ccc(-c4nc(-c5cc(C)sc5C)c(-c5cc(C)sc5C)[nH]4)cc3)[nH]c2-c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C36H34N4S4/c1-17-13-27(21(5)41-17)31-32(28-14-18(2)42-22(28)6)38-35(37-31)25-9-11-26(12-10-25)36-39-33(29-15-19(3)43-23(29)7)34(40-36)30-16-20(4)44-24(30)8/h9-16H,1-8H3,(H,37,38)(H,39,40)
InChIKeyLKIDZKGSTOOTSZ-UHFFFAOYSA-N
XLogP11.85
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.96
LogP ≤ 511.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole?
The IUPAC name of 2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole (CID 110194681) is 2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole.
What is the SMILES notation for 2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole?
The canonical SMILES for 2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole is Cc1cc(-c2nc(-c3ccc(-c4nc(-c5cc(C)sc5C)c(-c5cc(C)sc5C)[nH]4)cc3)[nH]c2-c2cc(C)sc2C)c(C)s1.
What is the InChIKey of 2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole?
The InChIKey is LKIDZKGSTOOTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4S4/c1-17-13-27(21(5)41-17)31-32(28-14-18(2)42-22(28)6)38-35(37-31)25-9-11-26(12-10-25)36-39-33(29-15-19(3)43-23(29)7)34(40-36)30-16-20(4)44-24(30)8/h9-16H,1-8H3,(H,37,38)(H,39,40).
What are the key properties of 2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole?
2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole has a molecular weight of 650.96 g/mol, XLogP of 11.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenyl]-4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazole is sourced from PubChem (CID 110194681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).