methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate

C11H8ClFN2O2 — CID 116880373

IUPACmethyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate
SMILESCOC(=O)c1ncc(-c2cc(Cl)ccc2F)[nH]1
InChIInChI=1S/C11H8ClFN2O2/c1-17-11(16)10-14-5-9(15-10)7-4-6(12)2-3-8(7)13/h2-5H,1H3,(H,14,15)
InChIKeyNUZNJQFONINUSV-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.66
Rot. Bonds2

About methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate

methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate (PubChem CID 116880373) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate
PubChem CID116880373
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Namemethyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate
SMILESCOC(=O)c1ncc(-c2cc(Cl)ccc2F)[nH]1
InChIInChI=1S/C11H8ClFN2O2/c1-17-11(16)10-14-5-9(15-10)7-4-6(12)2-3-8(7)13/h2-5H,1H3,(H,14,15)
InChIKeyNUZNJQFONINUSV-UHFFFAOYSA-N
XLogP2.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Chlorophenyl)histamine
CID 14827778
4-(3-chlorophenyl)-2-phenyl-1H-imidazole
CID 16723427
N-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-1H-imidazole-2-carboxamide
CID 168273109
2-(3-chlorophenyl)-4-phenyl-1H-imidazole
CID 16724904
(3R)-4-[(4-chlorophenyl)methyl]-3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholine
CID 75367181
(3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-fluorophenyl)methyl]morpholine
CID 75367184
(3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
CID 75367190
2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65458453
US11718612, Example 14
CID 156138087
2-(4-chlorophenyl)-1H-imidazole-5-carboxylic acid
CID 10513265
methyl 4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carboxylate
CID 44264941
(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]morpholine
CID 56775848

Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate?
The IUPAC name of methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate (CID 116880373) is methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate.
What is the SMILES notation for methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate?
The canonical SMILES for methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate is COC(=O)c1ncc(-c2cc(Cl)ccc2F)[nH]1.
What is the InChIKey of methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate?
The InChIKey is NUZNJQFONINUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-17-11(16)10-14-5-9(15-10)7-4-6(12)2-3-8(7)13/h2-5H,1H3,(H,14,15).
What are the key properties of methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate?
methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate has a molecular weight of 254.65 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-chloro-2-fluorophenyl)-1H-imidazole-2-carboxylate is sourced from PubChem (CID 116880373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).