1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol

C14H15ClF2N2O — CID 142479711

IUPAC1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol
SMILESOC(c1nccn1CCCc1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C14H15ClF2N2O/c15-11-5-3-10(4-6-11)2-1-8-19-9-7-18-14(19)12(20)13(16)17/h3-7,9,12-13,20H,1-2,8H2
InChIKeyAGPGSDZVIHYUND-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.47
Rot. Bonds6

About 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol

1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol (PubChem CID 142479711) has the molecular formula C14H15ClF2N2O and a molecular weight of 300.74 g/mol. Its IUPAC name is 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol.

Molecular Properties

Compound Name1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol
PubChem CID142479711
Molecular FormulaC14H15ClF2N2O
Molecular Weight300.74 g/mol
Exact Mass300.08
IUPAC Name1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol
SMILESOC(c1nccn1CCCc1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C14H15ClF2N2O/c15-11-5-3-10(4-6-11)2-1-8-19-9-7-18-14(19)12(20)13(16)17/h3-7,9,12-13,20H,1-2,8H2
InChIKeyAGPGSDZVIHYUND-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol?
The IUPAC name of 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol (CID 142479711) is 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol.
What is the SMILES notation for 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol?
The canonical SMILES for 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol is OC(c1nccn1CCCc1ccc(Cl)cc1)C(F)F.
What is the InChIKey of 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol?
The InChIKey is AGPGSDZVIHYUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2O/c15-11-5-3-10(4-6-11)2-1-8-19-9-7-18-14(19)12(20)13(16)17/h3-7,9,12-13,20H,1-2,8H2.
What are the key properties of 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol?
1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol has a molecular weight of 300.74 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]-2,2-difluoroethanol is sourced from PubChem (CID 142479711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).