2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol

C20H22N2O3 — CID 154667070

IUPAC2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol
SMILESCOc1cc(-c2nc(-c3ccccc3)c(C(C)C)[nH]2)cc(OC)c1O
InChIInChI=1S/C20H22N2O3/c1-12(2)17-18(13-8-6-5-7-9-13)22-20(21-17)14-10-15(24-3)19(23)16(11-14)25-4/h5-12,23H,1-4H3,(H,21,22)
InChIKeyBKIDQCHQYNOAQT-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.59
Rot. Bonds5

About 2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol

2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol (PubChem CID 154667070) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol
PubChem CID154667070
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol
SMILESCOc1cc(-c2nc(-c3ccccc3)c(C(C)C)[nH]2)cc(OC)c1O
InChIInChI=1S/C20H22N2O3/c1-12(2)17-18(13-8-6-5-7-9-13)22-20(21-17)14-10-15(24-3)19(23)16(11-14)25-4/h5-12,23H,1-4H3,(H,21,22)
InChIKeyBKIDQCHQYNOAQT-UHFFFAOYSA-N
XLogP4.59
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol?
The IUPAC name of 2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol (CID 154667070) is 2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol.
What is the SMILES notation for 2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol?
The canonical SMILES for 2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol is COc1cc(-c2nc(-c3ccccc3)c(C(C)C)[nH]2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol?
The InChIKey is BKIDQCHQYNOAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-12(2)17-18(13-8-6-5-7-9-13)22-20(21-17)14-10-15(24-3)19(23)16(11-14)25-4/h5-12,23H,1-4H3,(H,21,22).
What are the key properties of 2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol?
2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol has a molecular weight of 338.41 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-(4-phenyl-5-propan-2-yl-1H-imidazol-2-yl)phenol is sourced from PubChem (CID 154667070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).