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

C16H17F2N3O2 — CID 146042997

IUPAC4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
SMILESCOc1ccc(F)c(F)c1-c1nccn1CC1CC(=O)N(C)C1
InChIInChI=1S/C16H17F2N3O2/c1-20-8-10(7-13(20)22)9-21-6-5-19-16(21)14-12(23-2)4-3-11(17)15(14)18/h3-6,10H,7-9H2,1-2H3
InChIKeyFVANRXRGONZRPD-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.32
Rot. Bonds4

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

4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one (PubChem CID 146042997) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
PubChem CID146042997
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
SMILESCOc1ccc(F)c(F)c1-c1nccn1CC1CC(=O)N(C)C1
InChIInChI=1S/C16H17F2N3O2/c1-20-8-10(7-13(20)22)9-21-6-5-19-16(21)14-12(23-2)4-3-11(17)15(14)18/h3-6,10H,7-9H2,1-2H3
InChIKeyFVANRXRGONZRPD-UHFFFAOYSA-N
XLogP2.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine
CID 56879430
1-cyclopropyl-4-[[2-(2,6-difluoro-3-methylphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 155491539
4-[[2-(3,5-dimethyl-2-pyrazol-1-ylphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 146038672
1-methyl-4-[[2-[2-(3-methylphenyl)pyrimidin-5-yl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 146041584
5-[[2-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166614652
5-[[2-(2-methoxynaphthalen-1-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 166618664
5-[[2-[3-(3-chloro-4-fluorophenyl)-4-methoxyphenyl]imidazol-1-yl]methyl]pyrrolidin-2-one
CID 165424592
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175
5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole
CID 86282902
1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole
CID 56899429
7-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]-4-methyl-1H-quinolin-2-one
CID 70728101
2-(2,3-difluoro-4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]imidazole
CID 56863534

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one (CID 146042997) is 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one is COc1ccc(F)c(F)c1-c1nccn1CC1CC(=O)N(C)C1.
What is the InChIKey of 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one?
The InChIKey is FVANRXRGONZRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-20-8-10(7-13(20)22)9-21-6-5-19-16(21)14-12(23-2)4-3-11(17)15(14)18/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one?
4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one has a molecular weight of 321.33 g/mol, XLogP of 2.32, 4 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-methylpyrrolidin-2-one is sourced from PubChem (CID 146042997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).