4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine

C19H25F2N3O — CID 56879430

IUPAC4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine
SMILESCOc1ccc(F)c(F)c1-c1nccn1CC1CCN(C(C)C)CC1
InChIInChI=1S/C19H25F2N3O/c1-13(2)23-9-6-14(7-10-23)12-24-11-8-22-19(24)17-16(25-3)5-4-15(20)18(17)21/h4-5,8,11,13-14H,6-7,9-10,12H2,1-3H3
InChIKeySNKWGTUPHBIBMW-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.96
Rot. Bonds5

About 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine

4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine (PubChem CID 56879430) has the molecular formula C19H25F2N3O and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine
PubChem CID56879430
Molecular FormulaC19H25F2N3O
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine
SMILESCOc1ccc(F)c(F)c1-c1nccn1CC1CCN(C(C)C)CC1
InChIInChI=1S/C19H25F2N3O/c1-13(2)23-9-6-14(7-10-23)12-24-11-8-22-19(24)17-16(25-3)5-4-15(20)18(17)21/h4-5,8,11,13-14H,6-7,9-10,12H2,1-3H3
InChIKeySNKWGTUPHBIBMW-UHFFFAOYSA-N
XLogP3.96
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine (CID 56879430) is 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine is COc1ccc(F)c(F)c1-c1nccn1CC1CCN(C(C)C)CC1.
What is the InChIKey of 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine?
The InChIKey is SNKWGTUPHBIBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O/c1-13(2)23-9-6-14(7-10-23)12-24-11-8-22-19(24)17-16(25-3)5-4-15(20)18(17)21/h4-5,8,11,13-14H,6-7,9-10,12H2,1-3H3.
What are the key properties of 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine?
4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine has a molecular weight of 349.43 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 56879430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).