(2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol

C14H16F2N2O2 — CID 95552944

IUPAC(2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
SMILESCC[C@@H](O)Cn1ccnc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H16F2N2O2/c1-2-11(19)9-18-8-7-17-13(18)10-3-5-12(6-4-10)20-14(15)16/h3-8,11,14,19H,2,9H2,1H3/t11-/m1/s1
InChIKeyRUAXWJAJCNNDRZ-LLVKDONJSA-N
MW282.29 g/mol
LogP2.92
Rot. Bonds6

About (2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol

(2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol (PubChem CID 95552944) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is (2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
PubChem CID95552944
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name(2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
SMILESCC[C@@H](O)Cn1ccnc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H16F2N2O2/c1-2-11(19)9-18-8-7-17-13(18)10-3-5-12(6-4-10)20-14(15)16/h3-8,11,14,19H,2,9H2,1H3/t11-/m1/s1
InChIKeyRUAXWJAJCNNDRZ-LLVKDONJSA-N
XLogP2.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol (CID 95552944) is (2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol is CC[C@@H](O)Cn1ccnc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of (2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol?
The InChIKey is RUAXWJAJCNNDRZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-2-11(19)9-18-8-7-17-13(18)10-3-5-12(6-4-10)20-14(15)16/h3-8,11,14,19H,2,9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol?
(2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol has a molecular weight of 282.29 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol is sourced from PubChem (CID 95552944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).