(4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

C22H20N2O — CID 121278148

IUPAC(4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3ccc(-c4ccccc4)cc3)c2N1
InChIInChI=1S/C22H20N2O/c1-15-14-21(25)24-20-9-5-8-19(22(20)23-15)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-13,15,23H,14H2,1H3,(H,24,25)/t15-/m1/s1
InChIKeyDWKVMEXIEKLYKZ-OAHLLOKOSA-N
MW328.42 g/mol
LogP5.16
Rot. Bonds2

About (4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one

(4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (PubChem CID 121278148) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is (4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
PubChem CID121278148
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name(4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
SMILESC[C@@H]1CC(=O)Nc2cccc(-c3ccc(-c4ccccc4)cc3)c2N1
InChIInChI=1S/C22H20N2O/c1-15-14-21(25)24-20-9-5-8-19(22(20)23-15)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-13,15,23H,14H2,1H3,(H,24,25)/t15-/m1/s1
InChIKeyDWKVMEXIEKLYKZ-OAHLLOKOSA-N
XLogP5.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The IUPAC name of (4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one (CID 121278148) is (4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for (4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The canonical SMILES for (4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is C[C@@H]1CC(=O)Nc2cccc(-c3ccc(-c4ccccc4)cc3)c2N1.
What is the InChIKey of (4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
The InChIKey is DWKVMEXIEKLYKZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20N2O/c1-15-14-21(25)24-20-9-5-8-19(22(20)23-15)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-13,15,23H,14H2,1H3,(H,24,25)/t15-/m1/s1.
What are the key properties of (4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one?
(4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one has a molecular weight of 328.42 g/mol, XLogP of 5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-6-(4-phenylphenyl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 121278148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).