2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol

C16H21N3O2 — CID 135119953

About 2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol

2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol (PubChem CID 135119953) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
• PubChem CID: 135119953
• Molecular Formula: C16H21N3O2
• Molecular Weight: 287.36 g/mol
• Exact Mass: 287.16
• IUPAC Name: 2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
• SMILES: Cc1[nH]cnc1CN(CCO)Cc1ccc2c(c1)CCO2
• InChI: InChI=1S/C16H21N3O2/c1-12-15(18-11-17-12)10-19(5-6-20)9-13-2-3-16-14(8-13)4-7-21-16/h2-3,8,11,20H,4-7,9-10H2,1H3,(H,17,18)
• InChIKey: REYSSIIOMKZAFE-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 61.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.36
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?

The IUPAC name of 2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol (CID 135119953) is 2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol.

What is the SMILES notation for 2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?

The canonical SMILES for 2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol is Cc1[nH]cnc1CN(CCO)Cc1ccc2c(c1)CCO2.

What is the InChIKey of 2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?

The InChIKey is REYSSIIOMKZAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-15(18-11-17-12)10-19(5-6-20)9-13-2-3-16-14(8-13)4-7-21-16/h2-3,8,11,20H,4-7,9-10H2,1H3,(H,17,18).

What are the key properties of 2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?

2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol has a molecular weight of 287.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 135119953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).