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

C18H15BrF2N2O2 — CID 11373200

IUPACethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate
SMILESCCOC(=O)N1CC(c2ccc(Br)cc2)N=C1c1c(F)cccc1F
InChIInChI=1S/C18H15BrF2N2O2/c1-2-25-18(24)23-10-15(11-6-8-12(19)9-7-11)22-17(23)16-13(20)4-3-5-14(16)21/h3-9,15H,2,10H2,1H3
InChIKeyGIOUIIHADAEHQP-UHFFFAOYSA-N
MW409.23 g/mol
LogP4.69
Rot. Bonds3

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

ethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate (PubChem CID 11373200) has the molecular formula C18H15BrF2N2O2 and a molecular weight of 409.23 g/mol. Its IUPAC name is ethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate
PubChem CID11373200
Molecular FormulaC18H15BrF2N2O2
Molecular Weight409.23 g/mol
Exact Mass408.03
IUPAC Nameethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate
SMILESCCOC(=O)N1CC(c2ccc(Br)cc2)N=C1c1c(F)cccc1F
InChIInChI=1S/C18H15BrF2N2O2/c1-2-25-18(24)23-10-15(11-6-8-12(19)9-7-11)22-17(23)16-13(20)4-3-5-14(16)21/h3-9,15H,2,10H2,1H3
InChIKeyGIOUIIHADAEHQP-UHFFFAOYSA-N
XLogP4.69
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of ethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate (CID 11373200) is ethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for ethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate is CCOC(=O)N1CC(c2ccc(Br)cc2)N=C1c1c(F)cccc1F.
What is the InChIKey of ethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is GIOUIIHADAEHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF2N2O2/c1-2-25-18(24)23-10-15(11-6-8-12(19)9-7-11)22-17(23)16-13(20)4-3-5-14(16)21/h3-9,15H,2,10H2,1H3.
What are the key properties of ethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate?
ethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 409.23 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-bromophenyl)-2-(2,6-difluorophenyl)-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 11373200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).