N-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide

C24H29FN4O — CID 59161943

IUPACN-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide
SMILESCCC(C)(C)Cc1cnc(CC(NC(C)=O)c2ccc(-c3ccc(F)cn3)cc2)[nH]1
InChIInChI=1S/C24H29FN4O/c1-5-24(3,4)13-20-15-27-23(29-20)12-22(28-16(2)30)18-8-6-17(7-9-18)21-11-10-19(25)14-26-21/h6-11,14-15,22H,5,12-13H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyYAQAOMYUGIJZRU-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.01
Rot. Bonds8

About N-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide

N-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide (PubChem CID 59161943) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide
PubChem CID59161943
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC NameN-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide
SMILESCCC(C)(C)Cc1cnc(CC(NC(C)=O)c2ccc(-c3ccc(F)cn3)cc2)[nH]1
InChIInChI=1S/C24H29FN4O/c1-5-24(3,4)13-20-15-27-23(29-20)12-22(28-16(2)30)18-8-6-17(7-9-18)21-11-10-19(25)14-26-21/h6-11,14-15,22H,5,12-13H2,1-4H3,(H,27,29)(H,28,30)
InChIKeyYAQAOMYUGIJZRU-UHFFFAOYSA-N
XLogP5.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide (CID 59161943) is N-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide is CCC(C)(C)Cc1cnc(CC(NC(C)=O)c2ccc(-c3ccc(F)cn3)cc2)[nH]1.
What is the InChIKey of N-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide?
The InChIKey is YAQAOMYUGIJZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c1-5-24(3,4)13-20-15-27-23(29-20)12-22(28-16(2)30)18-8-6-17(7-9-18)21-11-10-19(25)14-26-21/h6-11,14-15,22H,5,12-13H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide?
N-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide has a molecular weight of 408.52 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]-1-[4-(5-fluoro-2-pyridinyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 59161943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).