3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

C24H21N3O — CID 70697534

IUPAC3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1C[C@H]1CNc2ccccc21
InChIInChI=1S/C24H21N3O/c28-24-22(14-17-15-25-20-12-6-4-10-18(17)20)26-23(16-8-2-1-3-9-16)19-11-5-7-13-21(19)27-24/h1-13,17,22,25H,14-15H2,(H,27,28)/t17-,22?/m0/s1
InChIKeyUWNODOKMPURDDA-LBOXEOMUSA-N
MW367.45 g/mol
LogP4.44
Rot. Bonds3

About 3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 70697534) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID70697534
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1C[C@H]1CNc2ccccc21
InChIInChI=1S/C24H21N3O/c28-24-22(14-17-15-25-20-12-6-4-10-18(17)20)26-23(16-8-2-1-3-9-16)19-11-5-7-13-21(19)27-24/h1-13,17,22,25H,14-15H2,(H,27,28)/t17-,22?/m0/s1
InChIKeyUWNODOKMPURDDA-LBOXEOMUSA-N
XLogP4.44
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 70697534) is 3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1C[C@H]1CNc2ccccc21.
What is the InChIKey of 3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is UWNODOKMPURDDA-LBOXEOMUSA-N. The full InChI is InChI=1S/C24H21N3O/c28-24-22(14-17-15-25-20-12-6-4-10-18(17)20)26-23(16-8-2-1-3-9-16)19-11-5-7-13-21(19)27-24/h1-13,17,22,25H,14-15H2,(H,27,28)/t17-,22?/m0/s1.
What are the key properties of 3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 367.45 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-2,3-dihydro-1H-indol-3-yl]methyl]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 70697534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).