ethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate

C14H13BrClFN2O2 — CID 146286624

IUPACethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(-c2ccc(Br)c(F)c2)c1Cl
InChIInChI=1S/C14H13BrClFN2O2/c1-3-11-18-12(14(20)21-4-2)13(16)19(11)8-5-6-9(15)10(17)7-8/h5-7H,3-4H2,1-2H3
InChIKeyLBTBDPWUYPKAFF-UHFFFAOYSA-N
MW375.63 g/mol
LogP4.17
Rot. Bonds4

About ethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate

ethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate (PubChem CID 146286624) has the molecular formula C14H13BrClFN2O2 and a molecular weight of 375.63 g/mol. Its IUPAC name is ethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate
PubChem CID146286624
Molecular FormulaC14H13BrClFN2O2
Molecular Weight375.63 g/mol
Exact Mass373.98
IUPAC Nameethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)n(-c2ccc(Br)c(F)c2)c1Cl
InChIInChI=1S/C14H13BrClFN2O2/c1-3-11-18-12(14(20)21-4-2)13(16)19(11)8-5-6-9(15)10(17)7-8/h5-7H,3-4H2,1-2H3
InChIKeyLBTBDPWUYPKAFF-UHFFFAOYSA-N
XLogP4.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.63
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103545657
1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
CID 146286761
ethyl 1-(4-bromo-3-fluorophenyl)imidazole-4-carboxylate
CID 114203737
2-[[4-(4-bromo-3-fluorophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 65436581
ethyl 4-bromo-1-(3,4-difluorophenyl)pyrazole-3-carboxylate
CID 89464890
methyl 5-amino-2-ethyl-1-(3,4,5-trifluorophenyl)imidazole-4-carboxylate
CID 103545375
ethyl 5-amino-1-(2,4-dibromophenyl)-2-ethylimidazole-4-carboxylate
CID 63465967
methyl 5-amino-1-(5-bromo-2,4-difluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103546310
1-(4-bromo-3-fluorophenyl)-2,5-dimethylpyrrole
CID 65436413
2-[1-(4-bromo-3-fluorophenyl)-5-ethylimidazol-2-yl]sulfanylacetic acid
CID 81343262
ethyl 2-(4-bromo-3-fluoroanilino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526915
ethyl 1-(4-bromophenyl)-2-(4-chlorophenyl)-5-methylimidazole-4-carboxylate
CID 176912169

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate (CID 146286624) is ethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate is CCOC(=O)c1nc(CC)n(-c2ccc(Br)c(F)c2)c1Cl.
What is the InChIKey of ethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate?
The InChIKey is LBTBDPWUYPKAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2O2/c1-3-11-18-12(14(20)21-4-2)13(16)19(11)8-5-6-9(15)10(17)7-8/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate?
ethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate has a molecular weight of 375.63 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate is sourced from PubChem (CID 146286624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).