1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride

C24H31ClN4O5 — CID 55590273

About 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride

1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride (PubChem CID 55590273) has the molecular formula C24H31ClN4O5 and a molecular weight of 490.99 g/mol. Its IUPAC name is 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride.

Molecular Properties

• Compound Name: 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride
• PubChem CID: 55590273
• Molecular Formula: C24H31ClN4O5
• Molecular Weight: 490.99 g/mol
• Exact Mass: 490.20
• IUPAC Name: 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride
• SMILES: COc1cc(OC)cc(C(NC(=O)NC(C)c2cc(OC)ccc2OC)c2nccn2C)c1.Cl
• InChI: InChI=1S/C24H30N4O5.ClH/c1-15(20-14-17(30-3)7-8-21(20)33-6)26-24(29)27-22(23-25-9-10-28(23)2)16-11-18(31-4)13-19(12-16)32-5;/h7-15,22H,1-6H3,(H2,26,27,29);1H
• InChIKey: XEQQYIUGEKGUFF-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 95.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.99
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride?

The IUPAC name of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride (CID 55590273) is 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride.

What is the SMILES notation for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride?

The canonical SMILES for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride is COc1cc(OC)cc(C(NC(=O)NC(C)c2cc(OC)ccc2OC)c2nccn2C)c1.Cl.

What is the InChIKey of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride?

The InChIKey is XEQQYIUGEKGUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5.ClH/c1-15(20-14-17(30-3)7-8-21(20)33-6)26-24(29)27-22(23-25-9-10-28(23)2)16-11-18(31-4)13-19(12-16)32-5;/h7-15,22H,1-6H3,(H2,26,27,29);1H.

What are the key properties of 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride?

1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride has a molecular weight of 490.99 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea;hydrochloride is sourced from PubChem (CID 55590273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).