2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid

C20H14N2O2 — CID 23160091

IUPAC2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cccc2c1C=Nc1ccccc1N2
InChIInChI=1S/C20H14N2O2/c23-20(24)15-7-2-1-6-13(15)14-8-5-11-17-16(14)12-21-18-9-3-4-10-19(18)22-17/h1-12,22H,(H,23,24)
InChIKeyIRXGRVFFHSWTCG-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.86
Rot. Bonds2

About 2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid

2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid (PubChem CID 23160091) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid.

Molecular Properties

Compound Name2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid
PubChem CID23160091
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid
SMILESO=C(O)c1ccccc1-c1cccc2c1C=Nc1ccccc1N2
InChIInChI=1S/C20H14N2O2/c23-20(24)15-7-2-1-6-13(15)14-8-5-11-17-16(14)12-21-18-9-3-4-10-19(18)22-17/h1-12,22H,(H,23,24)
InChIKeyIRXGRVFFHSWTCG-UHFFFAOYSA-N
XLogP4.86
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
1H-1,5-benzodiazepine-2-carboxylic acid
CID 159959078
2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
CID 101121393
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
10H-phenoxazine-4,6-dicarboxylic acid
CID 14031272
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2-[2-(2-methylpropanoyl)phenyl]benzoic acid
CID 21063785
hydroxy(trimethyl)silane;phthalic acid
CID 175037657
2-(5-formyl-1H-pyrazol-4-yl)benzoic acid
CID 89326233
acetylene;2-phenylbenzoic acid
CID 67726329
bis(1H-1,5-benzodiazepin-2-yl)methanone
CID 174805429

Frequently Asked Questions

What is the IUPAC name of 2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid?
The IUPAC name of 2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid (CID 23160091) is 2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid.
What is the SMILES notation for 2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid?
The canonical SMILES for 2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid is O=C(O)c1ccccc1-c1cccc2c1C=Nc1ccccc1N2.
What is the InChIKey of 2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid?
The InChIKey is IRXGRVFFHSWTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-20(24)15-7-2-1-6-13(15)14-8-5-11-17-16(14)12-21-18-9-3-4-10-19(18)22-17/h1-12,22H,(H,23,24).
What are the key properties of 2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid?
2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid has a molecular weight of 314.34 g/mol, XLogP of 4.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11H-benzo[b][1,4]benzodiazepin-7-yl)benzoic acid is sourced from PubChem (CID 23160091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).