2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol

C14H16F2N2O — CID 116882964

IUPAC2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)c1ncc(-c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C14H16F2N2O/c1-8(2)11(7-19)14-17-6-13(18-14)10-5-9(15)3-4-12(10)16/h3-6,8,11,19H,7H2,1-2H3,(H,17,18)
InChIKeyHMZCNYMFYOTGEK-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.09
Rot. Bonds4

About 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol

2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol (PubChem CID 116882964) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol
PubChem CID116882964
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)c1ncc(-c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C14H16F2N2O/c1-8(2)11(7-19)14-17-6-13(18-14)10-5-9(15)3-4-12(10)16/h3-6,8,11,19H,7H2,1-2H3,(H,17,18)
InChIKeyHMZCNYMFYOTGEK-UHFFFAOYSA-N
XLogP3.09
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol?
The IUPAC name of 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol (CID 116882964) is 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol is CC(C)C(CO)c1ncc(-c2cc(F)ccc2F)[nH]1.
What is the InChIKey of 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol?
The InChIKey is HMZCNYMFYOTGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-8(2)11(7-19)14-17-6-13(18-14)10-5-9(15)3-4-12(10)16/h3-6,8,11,19H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol?
2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol has a molecular weight of 266.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 116882964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).