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

CID 168271392
CID 168271392
CID 3010580
CID 3010580
CID 49783981
CID 49783981
CID 49783982
CID 49783982
CID 49784061
CID 49784061
CID 49784062
CID 49784062
CID 49784063
CID 49784063
CID 49784064
CID 49784064
CID 49784065
CID 49784065
CID 49784522
CID 49784522
CID 49784605
CID 49784605
CID 49784607
CID 49784607

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).