2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone

C24H23N3O2 — CID 54272822

IUPAC2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone
SMILESCN1c2ccccc2C(c2ccccc2)=NCC1C(N)C(=O)c1ccccc1O
InChIInChI=1S/C24H23N3O2/c1-27-19-13-7-5-11-17(19)23(16-9-3-2-4-10-16)26-15-20(27)22(25)24(29)18-12-6-8-14-21(18)28/h2-14,20,22,28H,15,25H2,1H3
InChIKeyRLIRYKFEPIAMFP-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.26
Rot. Bonds4

About 2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone

2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone (PubChem CID 54272822) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone
PubChem CID54272822
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone
SMILESCN1c2ccccc2C(c2ccccc2)=NCC1C(N)C(=O)c1ccccc1O
InChIInChI=1S/C24H23N3O2/c1-27-19-13-7-5-11-17(19)23(16-9-3-2-4-10-16)26-15-20(27)22(25)24(29)18-12-6-8-14-21(18)28/h2-14,20,22,28H,15,25H2,1H3
InChIKeyRLIRYKFEPIAMFP-UHFFFAOYSA-N
XLogP3.26
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone?
The IUPAC name of 2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone (CID 54272822) is 2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone is CN1c2ccccc2C(c2ccccc2)=NCC1C(N)C(=O)c1ccccc1O.
What is the InChIKey of 2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone?
The InChIKey is RLIRYKFEPIAMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-27-19-13-7-5-11-17(19)23(16-9-3-2-4-10-16)26-15-20(27)22(25)24(29)18-12-6-8-14-21(18)28/h2-14,20,22,28H,15,25H2,1H3.
What are the key properties of 2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone?
2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone has a molecular weight of 385.47 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-hydroxyphenyl)-2-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)ethanone is sourced from PubChem (CID 54272822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).