2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide

C23H24N4O2 — CID 10786515

IUPAC2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
SMILESO=C(NCCc1ccccc1)C1c2ccccc2C(=O)N1CCCn1ccnc1
InChIInChI=1S/C23H24N4O2/c28-22(25-12-11-18-7-2-1-3-8-18)21-19-9-4-5-10-20(19)23(29)27(21)15-6-14-26-16-13-24-17-26/h1-5,7-10,13,16-17,21H,6,11-12,14-15H2,(H,25,28)
InChIKeyGFHOTTYEVIJDBM-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.83
Rot. Bonds8

About 2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide

2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide (PubChem CID 10786515) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide.

Molecular Properties

Compound Name2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
PubChem CID10786515
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
SMILESO=C(NCCc1ccccc1)C1c2ccccc2C(=O)N1CCCn1ccnc1
InChIInChI=1S/C23H24N4O2/c28-22(25-12-11-18-7-2-1-3-8-18)21-19-9-4-5-10-20(19)23(29)27(21)15-6-14-26-16-13-24-17-26/h1-5,7-10,13,16-17,21H,6,11-12,14-15H2,(H,25,28)
InChIKeyGFHOTTYEVIJDBM-UHFFFAOYSA-N
XLogP2.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-benzo[de]isoquinoline-1-carboxamide
CID 10765464
N-benzyl-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
CID 68851424
2-[2-(4-chlorophenyl)propyl]-N-(3-imidazol-1-ylpropyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68771401
(1S)-N-(3-methoxypropyl)-3-oxo-2-(3-phenylpropyl)-1H-isoindole-1-carboxamide
CID 92714959
1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea
CID 4832222
3-oxo-N,2-dipropyl-1H-isoindole-1-carboxamide
CID 68771820
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111135289
1-(8-phenyloctyl)imidazole
CID 102394184
2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
CID 10808642
1-(3-imidazol-1-ylpropyl)-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135288
N-benzyl-2-(3-methylbutyl)-3-oxo-1H-isoindole-1-carboxamide
CID 68775114
4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide
CID 90648227

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
The IUPAC name of 2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide (CID 10786515) is 2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide.
What is the SMILES notation for 2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
The canonical SMILES for 2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide is O=C(NCCc1ccccc1)C1c2ccccc2C(=O)N1CCCn1ccnc1.
What is the InChIKey of 2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
The InChIKey is GFHOTTYEVIJDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(25-12-11-18-7-2-1-3-8-18)21-19-9-4-5-10-20(19)23(29)27(21)15-6-14-26-16-13-24-17-26/h1-5,7-10,13,16-17,21H,6,11-12,14-15H2,(H,25,28).
What are the key properties of 2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide?
2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide is sourced from PubChem (CID 10786515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).