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

C17H18N2O2 — CID 21201664

IUPAC5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCOCN1C(=O)CCN(c2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2O2/c1-21-13-19-16-10-6-5-9-15(16)18(12-11-17(19)20)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3
InChIKeyJVULYGZGNIQCTL-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.17
Rot. Bonds3

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

5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 21201664) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID21201664
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCOCN1C(=O)CCN(c2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2O2/c1-21-13-19-16-10-6-5-9-15(16)18(12-11-17(19)20)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3
InChIKeyJVULYGZGNIQCTL-UHFFFAOYSA-N
XLogP3.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one (CID 21201664) is 5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one is COCN1C(=O)CCN(c2ccccc2)c2ccccc21.
What is the InChIKey of 5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is JVULYGZGNIQCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-13-19-16-10-6-5-9-15(16)18(12-11-17(19)20)14-7-3-2-4-8-14/h2-10H,11-13H2,1H3.
What are the key properties of 5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one?
5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 282.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 21201664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).