2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one

C26H24N4O — CID 150271207

IUPAC2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one
SMILESO=C1c2ccc(N3CCCCC3)cc2CN1c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C26H24N4O/c31-26-22-11-9-20(29-13-5-2-6-14-29)15-19(22)17-30(26)21-10-12-23-24(16-21)28-25(27-23)18-7-3-1-4-8-18/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H,27,28)
InChIKeyGDPMUUJNTLAYOV-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.38
Rot. Bonds3

About 2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one

2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one (PubChem CID 150271207) has the molecular formula C26H24N4O and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one
PubChem CID150271207
Molecular FormulaC26H24N4O
Molecular Weight408.51 g/mol
Exact Mass408.20
IUPAC Name2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one
SMILESO=C1c2ccc(N3CCCCC3)cc2CN1c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C26H24N4O/c31-26-22-11-9-20(29-13-5-2-6-14-29)15-19(22)17-30(26)21-10-12-23-24(16-21)28-25(27-23)18-7-3-1-4-8-18/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H,27,28)
InChIKeyGDPMUUJNTLAYOV-UHFFFAOYSA-N
XLogP5.38
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[6-(3-oxo-6-piperidin-1-yl-1H-isoindol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-[(E)-5-phenylpent-2-enyl]acetamide
CID 155773008
6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 168514664
5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxybenzoic acid
CID 162531033
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
4-oxo-6-piperidin-1-yl-3H-quinazoline-2-carbonitrile
CID 142062413
1-(2-hydroxyphenyl)-5-imino-4-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-2H-pyrrol-3-ol
CID 136724716
N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
4-amino-5-(6-piperidin-1-yl-1H-benzimidazol-2-yl)-7H-thieno[2,3-b]pyridin-6-one
CID 145214385
4-[4-[5-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine
CID 67114161
2-hydroxy-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)benzoic acid
CID 162530956
5-[6-(azetidin-1-yl)-1H-benzimidazol-2-yl]-2-hydroxy-3-methoxybenzoic acid
CID 162531087

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one?
The IUPAC name of 2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one (CID 150271207) is 2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one.
What is the SMILES notation for 2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one?
The canonical SMILES for 2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one is O=C1c2ccc(N3CCCCC3)cc2CN1c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one?
The InChIKey is GDPMUUJNTLAYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O/c31-26-22-11-9-20(29-13-5-2-6-14-29)15-19(22)17-30(26)21-10-12-23-24(16-21)28-25(27-23)18-7-3-1-4-8-18/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2,(H,27,28).
What are the key properties of 2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one?
2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one has a molecular weight of 408.51 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-3H-benzimidazol-5-yl)-5-piperidin-1-yl-3H-isoindol-1-one is sourced from PubChem (CID 150271207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).