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

C21H20N2OS2 — CID 136715086

IUPAC2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol
SMILESCc1cc(-c2nc(-c3ccccc3O)[nH]c2-c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C21H20N2OS2/c1-11-9-16(13(3)25-11)19-20(17-10-12(2)26-14(17)4)23-21(22-19)15-7-5-6-8-18(15)24/h5-10,24H,1-4H3,(H,22,23)
InChIKeyLEWCUUWWWPGKEU-UHFFFAOYSA-N
MW380.54 g/mol
LogP6.47
Rot. Bonds3

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

2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol (PubChem CID 136715086) has the molecular formula C21H20N2OS2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol
PubChem CID136715086
Molecular FormulaC21H20N2OS2
Molecular Weight380.54 g/mol
Exact Mass380.10
IUPAC Name2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol
SMILESCc1cc(-c2nc(-c3ccccc3O)[nH]c2-c2cc(C)sc2C)c(C)s1
InChIInChI=1S/C21H20N2OS2/c1-11-9-16(13(3)25-11)19-20(17-10-12(2)26-14(17)4)23-21(22-19)15-7-5-6-8-18(15)24/h5-10,24H,1-4H3,(H,22,23)
InChIKeyLEWCUUWWWPGKEU-UHFFFAOYSA-N
XLogP6.47
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol?
The IUPAC name of 2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol (CID 136715086) is 2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol?
The canonical SMILES for 2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol is Cc1cc(-c2nc(-c3ccccc3O)[nH]c2-c2cc(C)sc2C)c(C)s1.
What is the InChIKey of 2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol?
The InChIKey is LEWCUUWWWPGKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS2/c1-11-9-16(13(3)25-11)19-20(17-10-12(2)26-14(17)4)23-21(22-19)15-7-5-6-8-18(15)24/h5-10,24H,1-4H3,(H,22,23).
What are the key properties of 2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol?
2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol has a molecular weight of 380.54 g/mol, XLogP of 6.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(2,5-dimethylthiophen-3-yl)-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 136715086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).