6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one

C22H27N3O — CID 46884627

IUPAC6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(-c3cccc(=O)[nH]3)cc2)[nH]1
InChIInChI=1S/C22H27N3O/c1-4-22(2,3)14-18-15-23-20(24-18)13-10-16-8-11-17(12-9-16)19-6-5-7-21(26)25-19/h5-9,11-12,15H,4,10,13-14H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyCQGYWEOGNSVKSP-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.53
Rot. Bonds7

About 6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one

6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one (PubChem CID 46884627) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one
PubChem CID46884627
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(-c3cccc(=O)[nH]3)cc2)[nH]1
InChIInChI=1S/C22H27N3O/c1-4-22(2,3)14-18-15-23-20(24-18)13-10-16-8-11-17(12-9-16)19-6-5-7-21(26)25-19/h5-9,11-12,15H,4,10,13-14H2,1-3H3,(H,23,24)(H,25,26)
InChIKeyCQGYWEOGNSVKSP-UHFFFAOYSA-N
XLogP4.53
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one (CID 46884627) is 6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one is CCC(C)(C)Cc1cnc(CCc2ccc(-c3cccc(=O)[nH]3)cc2)[nH]1.
What is the InChIKey of 6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one?
The InChIKey is CQGYWEOGNSVKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-4-22(2,3)14-18-15-23-20(24-18)13-10-16-8-11-17(12-9-16)19-6-5-7-21(26)25-19/h5-9,11-12,15H,4,10,13-14H2,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one?
6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one has a molecular weight of 349.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 46884627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).