4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine

C19H15FN2S — CID 139219662

IUPAC4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine
SMILESFc1ccc(C2=Nc3ccccc3NC(c3cccs3)C2)cc1
InChIInChI=1S/C19H15FN2S/c20-14-9-7-13(8-10-14)17-12-18(19-6-3-11-23-19)22-16-5-2-1-4-15(16)21-17/h1-11,18,22H,12H2
InChIKeyLOVNLAIKPKQUCZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.56
Rot. Bonds2

About 4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine

4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine (PubChem CID 139219662) has the molecular formula C19H15FN2S and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine
PubChem CID139219662
Molecular FormulaC19H15FN2S
Molecular Weight322.41 g/mol
Exact Mass322.09
IUPAC Name4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine
SMILESFc1ccc(C2=Nc3ccccc3NC(c3cccs3)C2)cc1
InChIInChI=1S/C19H15FN2S/c20-14-9-7-13(8-10-14)17-12-18(19-6-3-11-23-19)22-16-5-2-1-4-15(16)21-17/h1-11,18,22H,12H2
InChIKeyLOVNLAIKPKQUCZ-UHFFFAOYSA-N
XLogP5.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine?
The IUPAC name of 4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine (CID 139219662) is 4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine?
The canonical SMILES for 4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine is Fc1ccc(C2=Nc3ccccc3NC(c3cccs3)C2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine?
The InChIKey is LOVNLAIKPKQUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2S/c20-14-9-7-13(8-10-14)17-12-18(19-6-3-11-23-19)22-16-5-2-1-4-15(16)21-17/h1-11,18,22H,12H2.
What are the key properties of 4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine?
4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine has a molecular weight of 322.41 g/mol, XLogP of 5.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine is sourced from PubChem (CID 139219662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).