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

C18H15ClN2 — CID 3411077

IUPAC4-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
SMILESClc1ccccc1C1NCc2ccccc2-n2cccc21
InChIInChI=1S/C18H15ClN2/c19-15-8-3-2-7-14(15)18-17-10-5-11-21(17)16-9-4-1-6-13(16)12-20-18/h1-11,18,20H,12H2
InChIKeyFKCSRQZNFKVXFD-UHFFFAOYSA-N
MW294.79 g/mol
LogP4.32
Rot. Bonds1

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

4-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine (PubChem CID 3411077) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
PubChem CID3411077
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name4-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine
SMILESClc1ccccc1C1NCc2ccccc2-n2cccc21
InChIInChI=1S/C18H15ClN2/c19-15-8-3-2-7-14(15)18-17-10-5-11-21(17)16-9-4-1-6-13(16)12-20-18/h1-11,18,20H,12H2
InChIKeyFKCSRQZNFKVXFD-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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine?
The IUPAC name of 4-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine (CID 3411077) is 4-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine.
What is the SMILES notation for 4-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine?
The canonical SMILES for 4-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine is Clc1ccccc1C1NCc2ccccc2-n2cccc21.
What is the InChIKey of 4-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine?
The InChIKey is FKCSRQZNFKVXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c19-15-8-3-2-7-14(15)18-17-10-5-11-21(17)16-9-4-1-6-13(16)12-20-18/h1-11,18,20H,12H2.
What are the key properties of 4-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine?
4-(2-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-(2-chlorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine is sourced from PubChem (CID 3411077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).