(2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide

C20H19N3O — CID 145351978

IUPAC(2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)NC[C@@H]1c2ccccc2-c2cncn21)c1ccccc1
InChIInChI=1S/C20H19N3O/c1-14(15-7-3-2-4-8-15)20(24)22-12-19-17-10-6-5-9-16(17)18-11-21-13-23(18)19/h2-11,13-14,19H,12H2,1H3,(H,22,24)/t14-,19+/m0/s1
InChIKeyBJTOMYPEBCLLAD-IFXJQAMLSA-N
MW317.39 g/mol
LogP3.37
Rot. Bonds4

About (2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide

(2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide (PubChem CID 145351978) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide
PubChem CID145351978
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide
SMILESC[C@H](C(=O)NC[C@@H]1c2ccccc2-c2cncn21)c1ccccc1
InChIInChI=1S/C20H19N3O/c1-14(15-7-3-2-4-8-15)20(24)22-12-19-17-10-6-5-9-16(17)18-11-21-13-23(18)19/h2-11,13-14,19H,12H2,1H3,(H,22,24)/t14-,19+/m0/s1
InChIKeyBJTOMYPEBCLLAD-IFXJQAMLSA-N
XLogP3.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide 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

1,1-dicyclohexyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
CID 145351818
1-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-3-(3-phenylphenyl)urea
CID 122504291
1-cyclohexyl-1-cyclopropyl-3-[[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]urea
CID 145351930
1-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)-1-N'-(4-methylphenyl)ethene-1,1-diamine
CID 145140028
1-(4-cyanophenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504382
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-propan-2-ylbicyclo[3.2.2]nonane-1-carboxamide
CID 145402295
1-(3-chloro-4-pyridin-4-ylphenyl)-3-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)urea
CID 122504308
3-(4-fluorophenyl)-N-(5H-imidazo[5,1-a]isoindol-5-ylmethyl)benzamide
CID 145351905
4-(5H-imidazo[5,1-a]isoindol-5-ylmethylamino)-N-phenylcyclohexane-1-carboxamide
CID 172804515
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-methylbicyclo[3.2.2]nonane-1-carboxamide
CID 145402398
(1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 137405860
(1R)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 137405700

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide (CID 145351978) is (2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide is C[C@H](C(=O)NC[C@@H]1c2ccccc2-c2cncn21)c1ccccc1.
What is the InChIKey of (2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide?
The InChIKey is BJTOMYPEBCLLAD-IFXJQAMLSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14(15-7-3-2-4-8-15)20(24)22-12-19-17-10-6-5-9-16(17)18-11-21-13-23(18)19/h2-11,13-14,19H,12H2,1H3,(H,22,24)/t14-,19+/m0/s1.
What are the key properties of (2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide?
(2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide has a molecular weight of 317.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 145351978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).