2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid

C18H10ClFN2O3 — CID 68789188

IUPAC2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(-c3cnc(-c4c(F)cccc4Cl)[nH]3)cc2c1
InChIInChI=1S/C18H10ClFN2O3/c19-11-2-1-3-12(20)16(11)17-21-8-13(22-17)15-7-10-6-9(18(23)24)4-5-14(10)25-15/h1-8H,(H,21,22)(H,23,24)
InChIKeyUPGPVSWQMCNTCB-UHFFFAOYSA-N
MW356.74 g/mol
LogP4.98
Rot. Bonds3

About 2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid

2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid (PubChem CID 68789188) has the molecular formula C18H10ClFN2O3 and a molecular weight of 356.74 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid
PubChem CID68789188
Molecular FormulaC18H10ClFN2O3
Molecular Weight356.74 g/mol
Exact Mass356.04
IUPAC Name2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(-c3cnc(-c4c(F)cccc4Cl)[nH]3)cc2c1
InChIInChI=1S/C18H10ClFN2O3/c19-11-2-1-3-12(20)16(11)17-21-8-13(22-17)15-7-10-6-9(18(23)24)4-5-14(10)25-15/h1-8H,(H,21,22)(H,23,24)
InChIKeyUPGPVSWQMCNTCB-UHFFFAOYSA-N
XLogP4.98
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethynyl]benzoic acid
CID 52946057
2-(3,4-dichlorophenyl)-1-benzofuran-5-carboxylic acid
CID 67551372
3-[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]benzoic acid
CID 116879017
4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]benzoic acid
CID 69189659
1-(2-chloro-6-fluorophenyl)isoquinoline-7-carboxylic acid
CID 67960989
5-(4-benzylphenyl)-2-(2-chloro-6-fluorophenyl)-1H-imidazole
CID 52941240
2-pyridin-3-yl-1-benzofuran-5-carboxylic acid
CID 66865227
2-(2-chloro-6-fluorophenyl)-5-[5-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-1-benzofuran-2-yl]-1H-imidazole
CID 70833742
4-(2,6-dichlorophenyl)-3-fluorobenzoic acid
CID 119008734
5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine
CID 52948776
2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953761
4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid
CID 114731769

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid?
The IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid (CID 68789188) is 2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid is O=C(O)c1ccc2oc(-c3cnc(-c4c(F)cccc4Cl)[nH]3)cc2c1.
What is the InChIKey of 2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid?
The InChIKey is UPGPVSWQMCNTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2O3/c19-11-2-1-3-12(20)16(11)17-21-8-13(22-17)15-7-10-6-9(18(23)24)4-5-14(10)25-15/h1-8H,(H,21,22)(H,23,24).
What are the key properties of 2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid?
2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid has a molecular weight of 356.74 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 68789188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).