N-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

C25H24N4O2 — CID 123232871

IUPACN-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ncc(-c2cc(NC(=O)c3ccc(OCc4ccccn4)cc3)c(C)cc2C)[nH]1
InChIInChI=1S/C25H24N4O2/c1-16-12-17(2)23(13-22(16)24-14-27-18(3)28-24)29-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14H,15H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyGBHZJOLYBNNCNJ-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.23
Rot. Bonds6

About N-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 123232871) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID123232871
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ncc(-c2cc(NC(=O)c3ccc(OCc4ccccn4)cc3)c(C)cc2C)[nH]1
InChIInChI=1S/C25H24N4O2/c1-16-12-17(2)23(13-22(16)24-14-27-18(3)28-24)29-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14H,15H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyGBHZJOLYBNNCNJ-UHFFFAOYSA-N
XLogP5.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 123232871) is N-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1ncc(-c2cc(NC(=O)c3ccc(OCc4ccccn4)cc3)c(C)cc2C)[nH]1.
What is the InChIKey of N-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is GBHZJOLYBNNCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16-12-17(2)23(13-22(16)24-14-27-18(3)28-24)29-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14H,15H2,1-3H3,(H,27,28)(H,29,30).
What are the key properties of N-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 412.49 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 123232871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).