2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione

C28H26N4O2 — CID 3087655

IUPAC2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc2ccccc2n1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C28H26N4O2/c33-27-22-10-4-5-11-23(22)28(34)31(27)18-26-29-24-12-6-7-13-25(24)32(26)19-30-16-14-21(15-17-30)20-8-2-1-3-9-20/h1-13,21H,14-19H2
InChIKeySOTYHBAMZFMWJX-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.67
Rot. Bonds5

About 2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione

2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione (PubChem CID 3087655) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione
PubChem CID3087655
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nc2ccccc2n1CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C28H26N4O2/c33-27-22-10-4-5-11-23(22)28(34)31(27)18-26-29-24-12-6-7-13-25(24)32(26)19-30-16-14-21(15-17-30)20-8-2-1-3-9-20/h1-13,21H,14-19H2
InChIKeySOTYHBAMZFMWJX-UHFFFAOYSA-N
XLogP4.67
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-oxo-2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 784159
1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole
CID 24849559
1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 79753236
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
CID 6491176
(3R,4S)-1-[(1-ethylbenzimidazol-2-yl)methyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 166253499
2-[5-(4-phenylpiperidin-1-yl)pentyl]-4,5-dihydro-2-benzazepine-1,3-dione
CID 19813050
2-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]isoindole-1,3-dione
CID 165134144
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
2-[[3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]quinoxalin-2-yl]methyl]isoindole-1,3-dione
CID 139959494
2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
CID 92625830
1-[(2-chlorobenzimidazol-1-yl)methyl]-4-phenylpyrrolidin-2-one
CID 67113851
[1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol
CID 71649897

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione (CID 3087655) is 2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2n1CN1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is SOTYHBAMZFMWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c33-27-22-10-4-5-11-23(22)28(34)31(27)18-26-29-24-12-6-7-13-25(24)32(26)19-30-16-14-21(15-17-30)20-8-2-1-3-9-20/h1-13,21H,14-19H2.
What are the key properties of 2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione?
2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 450.54 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-phenylpiperidin-1-yl)methyl]benzimidazol-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 3087655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).