3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

C27H25N5O3 — CID 25351615

About 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 25351615) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
• PubChem CID: 25351615
• Molecular Formula: C27H25N5O3
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.20
• IUPAC Name: 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
• SMILES: COc1ccc([C@H](NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c2nccn2C)cc1
• InChI: InChI=1S/C27H25N5O3/c1-31-15-13-28-26(31)25(19-9-11-22(34-2)12-10-19)30-27(33)20-6-5-7-23(16-20)35-18-21-17-32-14-4-3-8-24(32)29-21/h3-17,25H,18H2,1-2H3,(H,30,33)/t25-/m0/s1
• InChIKey: DOYUWJZPFICPSX-VWLOTQADSA-N
• XLogP: 4.17
• TPSA: 82.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?

The IUPAC name of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide (CID 25351615) is 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide.

What is the SMILES notation for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?

The canonical SMILES for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide is COc1ccc([C@H](NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)c2nccn2C)cc1.

What is the InChIKey of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?

The InChIKey is DOYUWJZPFICPSX-VWLOTQADSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-31-15-13-28-26(31)25(19-9-11-22(34-2)12-10-19)30-27(33)20-6-5-7-23(16-20)35-18-21-17-32-14-4-3-8-24(32)29-21/h3-17,25H,18H2,1-2H3,(H,30,33)/t25-/m0/s1.

What are the key properties of 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?

3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 467.53 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 25351615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).