4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

C18H15ClN2 — CID 4062939

IUPAC4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
SMILESClc1cccc(C2NCc3ccccc3-n3cccc32)c1
InChIInChI=1S/C18H15ClN2/c19-15-7-3-6-13(11-15)18-17-9-4-10-21(17)16-8-2-1-5-14(16)12-20-18/h1-11,18,20H,12H2
InChIKeyFEPWBNKZJMBZST-UHFFFAOYSA-N
MW294.79 g/mol
LogP4.32
Rot. Bonds1

About 4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine (PubChem CID 4062939) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
PubChem CID4062939
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
SMILESClc1cccc(C2NCc3ccccc3-n3cccc32)c1
InChIInChI=1S/C18H15ClN2/c19-15-7-3-6-13(11-15)18-17-9-4-10-21(17)16-8-2-1-5-14(16)12-20-18/h1-11,18,20H,12H2
InChIKeyFEPWBNKZJMBZST-UHFFFAOYSA-N
XLogP4.32
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine 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 4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine?
The IUPAC name of 4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine (CID 4062939) is 4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine.
What is the SMILES notation for 4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine?
The canonical SMILES for 4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine is Clc1cccc(C2NCc3ccccc3-n3cccc32)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine?
The InChIKey is FEPWBNKZJMBZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c19-15-7-3-6-13(11-15)18-17-9-4-10-21(17)16-8-2-1-5-14(16)12-20-18/h1-11,18,20H,12H2.
What are the key properties of 4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine?
4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine has a molecular weight of 294.79 g/mol, XLogP of 4.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine is sourced from PubChem (CID 4062939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).