2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol

C18H19FN4O — CID 155913766

IUPAC2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol
SMILESCN(C)c1ccc(-c2nccn2C(CO)c2ccc(F)cc2)cn1
InChIInChI=1S/C18H19FN4O/c1-22(2)17-8-5-14(11-21-17)18-20-9-10-23(18)16(12-24)13-3-6-15(19)7-4-13/h3-11,16,24H,12H2,1-2H3
InChIKeyBRJPGDFVUNAGOY-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.73
Rot. Bonds5

About 2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol

2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol (PubChem CID 155913766) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol
PubChem CID155913766
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol
SMILESCN(C)c1ccc(-c2nccn2C(CO)c2ccc(F)cc2)cn1
InChIInChI=1S/C18H19FN4O/c1-22(2)17-8-5-14(11-21-17)18-20-9-10-23(18)16(12-24)13-3-6-15(19)7-4-13/h3-11,16,24H,12H2,1-2H3
InChIKeyBRJPGDFVUNAGOY-UHFFFAOYSA-N
XLogP2.73
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol (CID 155913766) is 2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol is CN(C)c1ccc(-c2nccn2C(CO)c2ccc(F)cc2)cn1.
What is the InChIKey of 2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol?
The InChIKey is BRJPGDFVUNAGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-22(2)17-8-5-14(11-21-17)18-20-9-10-23(18)16(12-24)13-3-6-15(19)7-4-13/h3-11,16,24H,12H2,1-2H3.
What are the key properties of 2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol?
2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol has a molecular weight of 326.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(dimethylamino)-3-pyridinyl]imidazol-1-yl]-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 155913766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).