N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide

C26H29N5O — CID 154681644

About N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide

N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 154681644) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide
• PubChem CID: 154681644
• Molecular Formula: C26H29N5O
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.24
• IUPAC Name: N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide
• SMILES: Cc1cc(C)c(-c2cnc(NC(=O)c3cccc(Cn4cccn4)c3)n2C(C)C)cc1C
• InChI: InChI=1S/C26H29N5O/c1-17(2)31-24(23-13-19(4)18(3)12-20(23)5)15-27-26(31)29-25(32)22-9-6-8-21(14-22)16-30-11-7-10-28-30/h6-15,17H,16H2,1-5H3,(H,27,29,32)
• InChIKey: YDNGHWHGJRMOQB-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide?

The IUPAC name of N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide (CID 154681644) is N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide.

What is the SMILES notation for N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide?

The canonical SMILES for N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide is Cc1cc(C)c(-c2cnc(NC(=O)c3cccc(Cn4cccn4)c3)n2C(C)C)cc1C.

What is the InChIKey of N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide?

The InChIKey is YDNGHWHGJRMOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-17(2)31-24(23-13-19(4)18(3)12-20(23)5)15-27-26(31)29-25(32)22-9-6-8-21(14-22)16-30-11-7-10-28-30/h6-15,17H,16H2,1-5H3,(H,27,29,32).

What are the key properties of N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide?

N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 427.55 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-propan-2-yl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 154681644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).