2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

C18H27N3O3 — CID 137334924

About 2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol (PubChem CID 137334924) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
• PubChem CID: 137334924
• Molecular Formula: C18H27N3O3
• Molecular Weight: 333.43 g/mol
• Exact Mass: 333.21
• IUPAC Name: 2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
• SMILES: COc1cc(CN(CCO)Cc2cnc(C)[nH]2)ccc1OC(C)C
• InChI: InChI=1S/C18H27N3O3/c1-13(2)24-17-6-5-15(9-18(17)23-4)11-21(7-8-22)12-16-10-19-14(3)20-16/h5-6,9-10,13,22H,7-8,11-12H2,1-4H3,(H,19,20)
• InChIKey: LEGFXBVTPFGPKL-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 70.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.43
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?

The IUPAC name of 2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol (CID 137334924) is 2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol.

What is the SMILES notation for 2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?

The canonical SMILES for 2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol is COc1cc(CN(CCO)Cc2cnc(C)[nH]2)ccc1OC(C)C.

What is the InChIKey of 2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?

The InChIKey is LEGFXBVTPFGPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(2)24-17-6-5-15(9-18(17)23-4)11-21(7-8-22)12-16-10-19-14(3)20-16/h5-6,9-10,13,22H,7-8,11-12H2,1-4H3,(H,19,20).

What are the key properties of 2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?

2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol has a molecular weight of 333.43 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 137334924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).