2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride

C24H30ClFN4O3 — CID 66591385

About 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride

2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride (PubChem CID 66591385) has the molecular formula C24H30ClFN4O3 and a molecular weight of 476.98 g/mol. Its IUPAC name is 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride
• PubChem CID: 66591385
• Molecular Formula: C24H30ClFN4O3
• Molecular Weight: 476.98 g/mol
• Exact Mass: 476.20
• IUPAC Name: 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride
• SMILES: CNC(=O)CN(CCc1ccc(OCc2cccc(F)c2)c(OC)c1)C(C)c1cnc[nH]1.Cl
• InChI: InChI=1S/C24H29FN4O3.ClH/c1-17(21-13-27-16-28-21)29(14-24(30)26-2)10-9-18-7-8-22(23(12-18)31-3)32-15-19-5-4-6-20(25)11-19;/h4-8,11-13,16-17H,9-10,14-15H2,1-3H3,(H,26,30)(H,27,28);1H
• InChIKey: BWURWGCNIGUQTA-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.98
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride?

The IUPAC name of 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride (CID 66591385) is 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride.

What is the SMILES notation for 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride?

The canonical SMILES for 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride is CNC(=O)CN(CCc1ccc(OCc2cccc(F)c2)c(OC)c1)C(C)c1cnc[nH]1.Cl.

What is the InChIKey of 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride?

The InChIKey is BWURWGCNIGUQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3.ClH/c1-17(21-13-27-16-28-21)29(14-24(30)26-2)10-9-18-7-8-22(23(12-18)31-3)32-15-19-5-4-6-20(25)11-19;/h4-8,11-13,16-17H,9-10,14-15H2,1-3H3,(H,26,30)(H,27,28);1H.

What are the key properties of 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride?

2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride has a molecular weight of 476.98 g/mol, XLogP of 3.91, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethyl-[1-(1H-imidazol-5-yl)ethyl]amino]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 66591385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).