2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one

C28H29N5O2 — CID 67909061

IUPAC2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one
SMILESO=C1N(c2ccccc2)CC(CCN2CCOCC2)N(c2ccccc2)c2nc3ccccc3n21
InChIInChI=1S/C28H29N5O2/c34-28-31(22-9-3-1-4-10-22)21-24(15-16-30-17-19-35-20-18-30)32(23-11-5-2-6-12-23)27-29-25-13-7-8-14-26(25)33(27)28/h1-14,24H,15-21H2
InChIKeyWUVCDOSIXMHJJT-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.75
Rot. Bonds5

About 2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one

2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one (PubChem CID 67909061) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one
PubChem CID67909061
Molecular FormulaC28H29N5O2
Molecular Weight467.57 g/mol
Exact Mass467.23
IUPAC Name2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one
SMILESO=C1N(c2ccccc2)CC(CCN2CCOCC2)N(c2ccccc2)c2nc3ccccc3n21
InChIInChI=1S/C28H29N5O2/c34-28-31(22-9-3-1-4-10-22)21-24(15-16-30-17-19-35-20-18-30)32(23-11-5-2-6-12-23)27-29-25-13-7-8-14-26(25)33(27)28/h1-14,24H,15-21H2
InChIKeyWUVCDOSIXMHJJT-UHFFFAOYSA-N
XLogP4.75
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-1-(4-chlorophenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 92717112
N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 51159495
4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 8003412
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 749145
(4S)-1-(4-ethoxyphenyl)-4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 92717220
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;dihydrochloride
CID 2851496
4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 157491856
4-[2-(2-phenylimidazo[1,2-a]benzimidazol-3-yl)ethyl]morpholine;hydrochloride
CID 146051190
1-(2-morpholin-4-ylethyl)quinoxalin-2-one
CID 142775762
(1R)-1-[4-[2-(hydroxymethyl)benzimidazol-1-yl]phenyl]-2-morpholin-4-ylethanol
CID 95129628
4-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one
CID 23607603
3-(morpholin-4-ylmethyl)-1-phenylimidazolidine-2,4-dione
CID 781366

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one (CID 67909061) is 2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one is O=C1N(c2ccccc2)CC(CCN2CCOCC2)N(c2ccccc2)c2nc3ccccc3n21.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one?
The InChIKey is WUVCDOSIXMHJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2/c34-28-31(22-9-3-1-4-10-22)21-24(15-16-30-17-19-35-20-18-30)32(23-11-5-2-6-12-23)27-29-25-13-7-8-14-26(25)33(27)28/h1-14,24H,15-21H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one?
2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one has a molecular weight of 467.57 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one is sourced from PubChem (CID 67909061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).