1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C21H18N4O3 — CID 165418997

About 1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 165418997) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: 1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 165418997
• Molecular Formula: C21H18N4O3
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.14
• IUPAC Name: 1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: COc1ccc(C2CN(C(=O)c3nc4ccccc4o3)Cc3[nH]cnc32)cc1
• InChI: InChI=1S/C21H18N4O3/c1-27-14-8-6-13(7-9-14)15-10-25(11-17-19(15)23-12-22-17)21(26)20-24-16-4-2-3-5-18(16)28-20/h2-9,12,15H,10-11H2,1H3,(H,22,23)
• InChIKey: UICXDNJRHREIHV-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 84.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The IUPAC name of 1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 165418997) is 1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

What is the SMILES notation for 1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The canonical SMILES for 1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is COc1ccc(C2CN(C(=O)c3nc4ccccc4o3)Cc3[nH]cnc32)cc1.

What is the InChIKey of 1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

The InChIKey is UICXDNJRHREIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-14-8-6-13(7-9-14)15-10-25(11-17-19(15)23-12-22-17)21(26)20-24-16-4-2-3-5-18(16)28-20/h2-9,12,15H,10-11H2,1H3,(H,22,23).

What are the key properties of 1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?

1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 374.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzoxazol-2-yl-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 165418997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).