3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one

C24H23N3O2 — CID 21201718

IUPAC3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCc1ccccc1C(=O)CN1C(=O)C(N)CN(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H23N3O2/c1-17-9-5-6-12-19(17)23(28)16-27-22-14-8-7-13-21(22)26(15-20(25)24(27)29)18-10-3-2-4-11-18/h2-14,20H,15-16,25H2,1H3
InChIKeyHHDKYVDVBLAVKH-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.69
Rot. Bonds4

About 3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one

3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 21201718) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID21201718
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESCc1ccccc1C(=O)CN1C(=O)C(N)CN(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H23N3O2/c1-17-9-5-6-12-19(17)23(28)16-27-22-14-8-7-13-21(22)26(15-20(25)24(27)29)18-10-3-2-4-11-18/h2-14,20H,15-16,25H2,1H3
InChIKeyHHDKYVDVBLAVKH-UHFFFAOYSA-N
XLogP3.69
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of 3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one (CID 21201718) is 3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for 3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for 3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one is Cc1ccccc1C(=O)CN1C(=O)C(N)CN(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is HHDKYVDVBLAVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17-9-5-6-12-19(17)23(28)16-27-22-14-8-7-13-21(22)26(15-20(25)24(27)29)18-10-3-2-4-11-18/h2-14,20H,15-16,25H2,1H3.
What are the key properties of 3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one?
3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 385.47 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(2-methylphenyl)-2-oxoethyl]-1-phenyl-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 21201718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).