2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine

C19H16N2S — CID 13085167

IUPAC2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine
SMILESc1ccc(C2CC(c3cccs3)=Nc3ccccc3N2)cc1
InChIInChI=1S/C19H16N2S/c1-2-7-14(8-3-1)17-13-18(19-11-6-12-22-19)21-16-10-5-4-9-15(16)20-17/h1-12,17,20H,13H2
InChIKeyLENNUKZCLMTECD-UHFFFAOYSA-N
MW304.42 g/mol
LogP5.43
Rot. Bonds2

About 2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine

2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine (PubChem CID 13085167) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine.

Molecular Properties

Compound Name2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine
PubChem CID13085167
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine
SMILESc1ccc(C2CC(c3cccs3)=Nc3ccccc3N2)cc1
InChIInChI=1S/C19H16N2S/c1-2-7-14(8-3-1)17-13-18(19-11-6-12-22-19)21-16-10-5-4-9-15(16)20-17/h1-12,17,20H,13H2
InChIKeyLENNUKZCLMTECD-UHFFFAOYSA-N
XLogP5.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-iodophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 71428341
(2S)-4-(4-methoxyphenyl)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
CID 754108
2-phenyl-4-[(Z)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine
CID 21231586
(2S)-2-phenyl-4-(2-phenylethenyl)-2,3-dihydro-1H-1,5-benzodiazepine
CID 1207309
2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine
CID 5340070
4-chloro-2-(4-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-2-yl)-3H-1,5-benzodiazepine
CID 139216661
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
3-hydroxy-2-[(2S)-2-(4-hydroxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]inden-1-one
CID 163155265
1,3,9,9a-tetrahydrothieno[3,4-b]quinoxaline
CID 91371519
5-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 18175524
3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole-2-carbothioamide
CID 50998327
(2S)-2-[4-(difluoromethoxy)phenyl]-4-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine
CID 1233651

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine?
The IUPAC name of 2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine (CID 13085167) is 2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine.
What is the SMILES notation for 2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine?
The canonical SMILES for 2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine is c1ccc(C2CC(c3cccs3)=Nc3ccccc3N2)cc1.
What is the InChIKey of 2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine?
The InChIKey is LENNUKZCLMTECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-2-7-14(8-3-1)17-13-18(19-11-6-12-22-19)21-16-10-5-4-9-15(16)20-17/h1-12,17,20H,13H2.
What are the key properties of 2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine?
2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine has a molecular weight of 304.42 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine is sourced from PubChem (CID 13085167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).