8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid

C18H10ClF2N3O2 — CID 176552131

IUPAC8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)CN=C(c1cccc(F)c1F)c1cc(Cl)ccc1-2
InChIInChI=1S/C18H10ClF2N3O2/c19-9-4-5-14-11(6-9)17(10-2-1-3-12(20)16(10)21)22-7-15-23-13(18(25)26)8-24(14)15/h1-6,8H,7H2,(H,25,26)
InChIKeyRQCUOYVNOSKFNG-UHFFFAOYSA-N
MW373.75 g/mol
LogP3.85
Rot. Bonds2

About 8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid

8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid (PubChem CID 176552131) has the molecular formula C18H10ClF2N3O2 and a molecular weight of 373.75 g/mol. Its IUPAC name is 8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid.

Molecular Properties

Compound Name8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid
PubChem CID176552131
Molecular FormulaC18H10ClF2N3O2
Molecular Weight373.75 g/mol
Exact Mass373.04
IUPAC Name8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)CN=C(c1cccc(F)c1F)c1cc(Cl)ccc1-2
InChIInChI=1S/C18H10ClF2N3O2/c19-9-4-5-14-11(6-9)17(10-2-1-3-12(20)16(10)21)22-7-15-23-13(18(25)26)8-24(14)15/h1-6,8H,7H2,(H,25,26)
InChIKeyRQCUOYVNOSKFNG-UHFFFAOYSA-N
XLogP3.85
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.75
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid?
The IUPAC name of 8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid (CID 176552131) is 8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid.
What is the SMILES notation for 8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid?
The canonical SMILES for 8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid is O=C(O)c1cn2c(n1)CN=C(c1cccc(F)c1F)c1cc(Cl)ccc1-2.
What is the InChIKey of 8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid?
The InChIKey is RQCUOYVNOSKFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF2N3O2/c19-9-4-5-14-11(6-9)17(10-2-1-3-12(20)16(10)21)22-7-15-23-13(18(25)26)8-24(14)15/h1-6,8H,7H2,(H,25,26).
What are the key properties of 8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid?
8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid has a molecular weight of 373.75 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid is sourced from PubChem (CID 176552131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).