1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole

C14H15ClF2N2 — CID 142479579

IUPAC1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole
SMILESCC(F)(F)c1nccn1CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClF2N2/c1-14(16,17)13-18-8-10-19(13)9-2-3-11-4-6-12(15)7-5-11/h4-8,10H,2-3,9H2,1H3
InChIKeyAHYWIIJBPULJPB-UHFFFAOYSA-N
MW284.74 g/mol
LogP4.28
Rot. Bonds5

About 1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole

1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole (PubChem CID 142479579) has the molecular formula C14H15ClF2N2 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole
PubChem CID142479579
Molecular FormulaC14H15ClF2N2
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole
SMILESCC(F)(F)c1nccn1CCCc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClF2N2/c1-14(16,17)13-18-8-10-19(13)9-2-3-11-4-6-12(15)7-5-11/h4-8,10H,2-3,9H2,1H3
InChIKeyAHYWIIJBPULJPB-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole?
The IUPAC name of 1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole (CID 142479579) is 1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole.
What is the SMILES notation for 1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole?
The canonical SMILES for 1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole is CC(F)(F)c1nccn1CCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole?
The InChIKey is AHYWIIJBPULJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2/c1-14(16,17)13-18-8-10-19(13)9-2-3-11-4-6-12(15)7-5-11/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole?
1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole has a molecular weight of 284.74 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)propyl]-2-(1,1-difluoroethyl)imidazole is sourced from PubChem (CID 142479579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).