ethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate

C12H12F2N2O2 — CID 54205901

IUPACethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate
SMILESCCOC(=O)N1CCN=C1c1c(F)cccc1F
InChIInChI=1S/C12H12F2N2O2/c1-2-18-12(17)16-7-6-15-11(16)10-8(13)4-3-5-9(10)14/h3-5H,2,6-7H2,1H3
InChIKeyPSLJJGFAYRNOMU-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.18
Rot. Bonds2

About ethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate

ethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate (PubChem CID 54205901) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is ethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate
PubChem CID54205901
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Nameethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate
SMILESCCOC(=O)N1CCN=C1c1c(F)cccc1F
InChIInChI=1S/C12H12F2N2O2/c1-2-18-12(17)16-7-6-15-11(16)10-8(13)4-3-5-9(10)14/h3-5H,2,6-7H2,1H3
InChIKeyPSLJJGFAYRNOMU-UHFFFAOYSA-N
XLogP2.18
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(2,6-difluorobenzyl)-1-piperazinecarboxylate
CID 2055478
Cambridge id 5422314
CID 782541
tert-butyl 2-phenyl-5,6-dihydro-4H-pyrimidine-1-carboxylate
CID 71814999
tert-butyl (4R)-2-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazole-1-carboxylate
CID 53328284
tert-butyl 4-[(E)-C-phenyl-N-(trifluoromethyl)carbonimidoyl]piperazine-1-carboxylate
CID 176438508
Ethyl4-[(2,4-difluorophenyl)methyl]piperazine-1-carboxylate
CID 743394
Ethyl 4-(2,5-difluorobenzyl)-1-piperazinecarboxylate
CID 2845349
ethyl [5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]carbamate
CID 16764166
ethyl [5-oxo-2-phenyl-1-(prop-2-en-1-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]carbamate
CID 16764168
Ethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate
CID 11373200
Ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate
CID 18735299
2-(3,4-Difluorophenyl)-4,5-dihydroimidazole-1-carboxylic acid
CID 22729449

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of ethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate (CID 54205901) is ethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for ethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for ethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate is CCOC(=O)N1CCN=C1c1c(F)cccc1F.
What is the InChIKey of ethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is PSLJJGFAYRNOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-2-18-12(17)16-7-6-15-11(16)10-8(13)4-3-5-9(10)14/h3-5H,2,6-7H2,1H3.
What are the key properties of ethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate?
ethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 254.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 54205901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).