2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone

C25H25N3O — CID 54495525

IUPAC2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone
SMILESCNC(C(=O)c1ccccc1)C1CN=C(c2ccccc2)c2ccccc2N1C
InChIInChI=1S/C25H25N3O/c1-26-24(25(29)19-13-7-4-8-14-19)22-17-27-23(18-11-5-3-6-12-18)20-15-9-10-16-21(20)28(22)2/h3-16,22,24,26H,17H2,1-2H3
InChIKeyXYUOEZYINLBEEL-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.81
Rot. Bonds5

About 2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone

2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone (PubChem CID 54495525) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone
PubChem CID54495525
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone
SMILESCNC(C(=O)c1ccccc1)C1CN=C(c2ccccc2)c2ccccc2N1C
InChIInChI=1S/C25H25N3O/c1-26-24(25(29)19-13-7-4-8-14-19)22-17-27-23(18-11-5-3-6-12-18)20-15-9-10-16-21(20)28(22)2/h3-16,22,24,26H,17H2,1-2H3
InChIKeyXYUOEZYINLBEEL-UHFFFAOYSA-N
XLogP3.81
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone?
The IUPAC name of 2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone (CID 54495525) is 2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone.
What is the SMILES notation for 2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone?
The canonical SMILES for 2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone is CNC(C(=O)c1ccccc1)C1CN=C(c2ccccc2)c2ccccc2N1C.
What is the InChIKey of 2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone?
The InChIKey is XYUOEZYINLBEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-26-24(25(29)19-13-7-4-8-14-19)22-17-27-23(18-11-5-3-6-12-18)20-15-9-10-16-21(20)28(22)2/h3-16,22,24,26H,17H2,1-2H3.
What are the key properties of 2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone?
2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone has a molecular weight of 383.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)-1-phenylethanone is sourced from PubChem (CID 54495525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).