5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one

C23H21N3O — CID 158795571

IUPAC5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one
SMILESO=C(CCCc1ccc(-c2ccc3nc[nH]c3c2)cc1)Cc1cccnc1
InChIInChI=1S/C23H21N3O/c27-21(13-18-4-2-12-24-15-18)5-1-3-17-6-8-19(9-7-17)20-10-11-22-23(14-20)26-16-25-22/h2,4,6-12,14-16H,1,3,5,13H2,(H,25,26)
InChIKeyPXGOYJFTKPLBPI-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.76
Rot. Bonds7

About 5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one

5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one (PubChem CID 158795571) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one.

Molecular Properties

Compound Name5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one
PubChem CID158795571
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one
SMILESO=C(CCCc1ccc(-c2ccc3nc[nH]c3c2)cc1)Cc1cccnc1
InChIInChI=1S/C23H21N3O/c27-21(13-18-4-2-12-24-15-18)5-1-3-17-6-8-19(9-7-17)20-10-11-22-23(14-20)26-16-25-22/h2,4,6-12,14-16H,1,3,5,13H2,(H,25,26)
InChIKeyPXGOYJFTKPLBPI-UHFFFAOYSA-N
XLogP4.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one
CID 147437155
5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one
CID 158795578
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
N-methyl-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43397556
5-hydroxy-1-pyridin-3-ylpentan-2-one
CID 106677611
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
N'-(3H-benzimidazol-5-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 108506743
1-pyridin-3-yldecan-2-one
CID 62621024
2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide
CID 110772427
4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one
CID 116603391
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one?
The IUPAC name of 5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one (CID 158795571) is 5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one.
What is the SMILES notation for 5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one?
The canonical SMILES for 5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one is O=C(CCCc1ccc(-c2ccc3nc[nH]c3c2)cc1)Cc1cccnc1.
What is the InChIKey of 5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one?
The InChIKey is PXGOYJFTKPLBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c27-21(13-18-4-2-12-24-15-18)5-1-3-17-6-8-19(9-7-17)20-10-11-22-23(14-20)26-16-25-22/h2,4,6-12,14-16H,1,3,5,13H2,(H,25,26).
What are the key properties of 5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one?
5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one has a molecular weight of 355.44 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one is sourced from PubChem (CID 158795571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).