3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one

C22H17N3O2 — CID 67044627

IUPAC3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc3nc[nH]c3c2)N1Cc1ccccc1
InChIInChI=1S/C22H17N3O2/c26-21-17-8-4-5-9-18(17)22(27,25(21)13-15-6-2-1-3-7-15)16-10-11-19-20(12-16)24-14-23-19/h1-12,14,27H,13H2,(H,23,24)
InChIKeyQHAZYBSNQRTYDK-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.41
Rot. Bonds3

About 3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one

3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one (PubChem CID 67044627) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one
PubChem CID67044627
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one
SMILESO=C1c2ccccc2C(O)(c2ccc3nc[nH]c3c2)N1Cc1ccccc1
InChIInChI=1S/C22H17N3O2/c26-21-17-8-4-5-9-18(17)22(27,25(21)13-15-6-2-1-3-7-15)16-10-11-19-20(12-16)24-14-23-19/h1-12,14,27H,13H2,(H,23,24)
InChIKeyQHAZYBSNQRTYDK-UHFFFAOYSA-N
XLogP3.41
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3H-benzimidazol-5-yl)-2-[(3-chlorophenyl)methyl]-3-hydroxyisoindol-1-one
CID 175279985
3-(3H-benzimidazol-5-yl)-2-(2-chlorophenyl)-3-hydroxyisoindol-1-one
CID 173114107
benzyl-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamic acid
CID 67044537
1-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]-3-ethylurea
CID 11554007
3-(3H-benzimidazol-5-yl)-2-[1-(3-chlorophenyl)ethyl]-3-hydroxyisoindol-1-one
CID 174679092
ethyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate
CID 90806960
(3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
CID 781996
2-fluoroethyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate
CID 11547108
but-2-ynyl N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]carbamate
CID 11605131
N-[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 67044338
[6-(2-benzyl-1-hydroxy-3-oxoisoindol-1-yl)-1H-benzimidazol-2-yl]-cyclohexylcarbamic acid
CID 67044550
3-(3H-benzimidazol-5-yl)-2-[1-(3-chloro-2-methylphenyl)ethyl]-3-hydroxyisoindol-1-one
CID 174691145

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one (CID 67044627) is 3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one is O=C1c2ccccc2C(O)(c2ccc3nc[nH]c3c2)N1Cc1ccccc1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one?
The InChIKey is QHAZYBSNQRTYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-21-17-8-4-5-9-18(17)22(27,25(21)13-15-6-2-1-3-7-15)16-10-11-19-20(12-16)24-14-23-19/h1-12,14,27H,13H2,(H,23,24).
What are the key properties of 3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one?
3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one has a molecular weight of 355.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-2-benzyl-3-hydroxyisoindol-1-one is sourced from PubChem (CID 67044627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).