(3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one

C23H20N2O2 — CID 53325290

IUPAC(3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1COCc1ccccc1
InChIInChI=1S/C23H20N2O2/c26-23-21(16-27-15-17-9-3-1-4-10-17)24-22(18-11-5-2-6-12-18)19-13-7-8-14-20(19)25-23/h1-14,21H,15-16H2,(H,25,26)/t21-/m0/s1
InChIKeyYDFGOBGLNCXTEF-NRFANRHFSA-N
MW356.43 g/mol
LogP4.06
Rot. Bonds5

About (3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one

(3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 53325290) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name(3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID53325290
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name(3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1COCc1ccccc1
InChIInChI=1S/C23H20N2O2/c26-23-21(16-27-15-17-9-3-1-4-10-17)24-22(18-11-5-2-6-12-18)19-13-7-8-14-20(19)25-23/h1-14,21H,15-16H2,(H,25,26)/t21-/m0/s1
InChIKeyYDFGOBGLNCXTEF-NRFANRHFSA-N
XLogP4.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate;hydrate
CID 22354565
3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide
CID 18917698
(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) cyanate
CID 134461148
[(3R)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]methyl acetate
CID 10871620
[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
CID 950560
benzyl N-[(3S)-5-(4-methylphenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate
CID 67082288
3-(diethylamino)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 11659534
(3S)-7-bromo-3-ethyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 7223110
5-(4-fluorophenyl)-3-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 69455524
(3S)-7-chloro-3-(cyclopropylmethyl)-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 139414077
3-benzyl-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione
CID 139413985
4-fluoro-N'-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide
CID 142743863

Frequently Asked Questions

What is the IUPAC name of (3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of (3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one (CID 53325290) is (3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for (3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for (3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1COCc1ccccc1.
What is the InChIKey of (3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is YDFGOBGLNCXTEF-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-23-21(16-27-15-17-9-3-1-4-10-17)24-22(18-11-5-2-6-12-18)19-13-7-8-14-20(19)25-23/h1-14,21H,15-16H2,(H,25,26)/t21-/m0/s1.
What are the key properties of (3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one?
(3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 356.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-phenyl-3-(phenylmethoxymethyl)-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 53325290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).