3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole

C19H16ClNSe — CID 153406927

IUPAC3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole
SMILESClc1ccc(-c2ccccc2-c2n[se]c3c2CCCC3)cc1
InChIInChI=1S/C19H16ClNSe/c20-14-11-9-13(10-12-14)15-5-1-2-6-16(15)19-17-7-3-4-8-18(17)22-21-19/h1-2,5-6,9-12H,3-4,7-8H2
InChIKeyMMHRYNJYARPFGJ-UHFFFAOYSA-N
MW372.76 g/mol
LogP5.00
Rot. Bonds2

About 3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole

3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole (PubChem CID 153406927) has the molecular formula C19H16ClNSe and a molecular weight of 372.76 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole
PubChem CID153406927
Molecular FormulaC19H16ClNSe
Molecular Weight372.76 g/mol
Exact Mass373.01
IUPAC Name3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole
SMILESClc1ccc(-c2ccccc2-c2n[se]c3c2CCCC3)cc1
InChIInChI=1S/C19H16ClNSe/c20-14-11-9-13(10-12-14)15-5-1-2-6-16(15)19-17-7-3-4-8-18(17)22-21-19/h1-2,5-6,9-12H,3-4,7-8H2
InChIKeyMMHRYNJYARPFGJ-UHFFFAOYSA-N
XLogP5.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.76
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole?
The IUPAC name of 3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole (CID 153406927) is 3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole.
What is the SMILES notation for 3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole?
The canonical SMILES for 3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole is Clc1ccc(-c2ccccc2-c2n[se]c3c2CCCC3)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole?
The InChIKey is MMHRYNJYARPFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNSe/c20-14-11-9-13(10-12-14)15-5-1-2-6-16(15)19-17-7-3-4-8-18(17)22-21-19/h1-2,5-6,9-12H,3-4,7-8H2.
What are the key properties of 3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole?
3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole has a molecular weight of 372.76 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)phenyl]-4,5,6,7-tetrahydro-1,2-benzoselenazole is sourced from PubChem (CID 153406927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).