2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol

C18H27FN2O — CID 89496569

IUPAC2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol
SMILESCN1C=C(c2cc(C(C)(C)O)ccc2F)N(CC(C)(C)C)C1
InChIInChI=1S/C18H27FN2O/c1-17(2,3)11-21-12-20(6)10-16(21)14-9-13(18(4,5)22)7-8-15(14)19/h7-10,22H,11-12H2,1-6H3
InChIKeyZETQVYNVOJNJBR-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.60
Rot. Bonds3

About 2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol

2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol (PubChem CID 89496569) has the molecular formula C18H27FN2O and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol
PubChem CID89496569
Molecular FormulaC18H27FN2O
Molecular Weight306.43 g/mol
Exact Mass306.21
IUPAC Name2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol
SMILESCN1C=C(c2cc(C(C)(C)O)ccc2F)N(CC(C)(C)C)C1
InChIInChI=1S/C18H27FN2O/c1-17(2,3)11-21-12-20(6)10-16(21)14-9-13(18(4,5)22)7-8-15(14)19/h7-10,22H,11-12H2,1-6H3
InChIKeyZETQVYNVOJNJBR-UHFFFAOYSA-N
XLogP3.60
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol?
The IUPAC name of 2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol (CID 89496569) is 2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol?
The canonical SMILES for 2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol is CN1C=C(c2cc(C(C)(C)O)ccc2F)N(CC(C)(C)C)C1.
What is the InChIKey of 2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol?
The InChIKey is ZETQVYNVOJNJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O/c1-17(2,3)11-21-12-20(6)10-16(21)14-9-13(18(4,5)22)7-8-15(14)19/h7-10,22H,11-12H2,1-6H3.
What are the key properties of 2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol?
2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol has a molecular weight of 306.43 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2,2-dimethylpropyl)-1-methyl-2H-imidazol-4-yl]-4-fluorophenyl]propan-2-ol is sourced from PubChem (CID 89496569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).