3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide

C28H30N4O2 — CID 55859602

About 3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide

3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55859602) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide
• PubChem CID: 55859602
• Molecular Formula: C28H30N4O2
• Molecular Weight: 454.57 g/mol
• Exact Mass: 454.24
• IUPAC Name: 3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide
• SMILES: Cc1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc(C)c1OCc1cccnc1
• InChI: InChI=1S/C28H30N4O2/c1-19(2)27-30-11-12-32(27)17-22-7-5-9-25(15-22)31-28(33)24-13-20(3)26(21(4)14-24)34-18-23-8-6-10-29-16-23/h5-16,19H,17-18H2,1-4H3,(H,31,33)
• InChIKey: PYUITDXRGVGLTI-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.57
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide?

The IUPAC name of 3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 55859602) is 3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide.

What is the SMILES notation for 3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide?

The canonical SMILES for 3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc(C)c1OCc1cccnc1.

What is the InChIKey of 3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide?

The InChIKey is PYUITDXRGVGLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-19(2)27-30-11-12-32(27)17-22-7-5-9-25(15-22)31-28(33)24-13-20(3)26(21(4)14-24)34-18-23-8-6-10-29-16-23/h5-16,19H,17-18H2,1-4H3,(H,31,33).

What are the key properties of 3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide?

3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 454.57 g/mol, XLogP of 5.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55859602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).