N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride

C21H23Cl4N3O2 — CID 17155442

About N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride (PubChem CID 17155442) has the molecular formula C21H23Cl4N3O2 and a molecular weight of 491.25 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
• PubChem CID: 17155442
• Molecular Formula: C21H23Cl4N3O2
• Molecular Weight: 491.25 g/mol
• Exact Mass: 489.05
• IUPAC Name: N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
• SMILES: COc1cc(CNCCCn2ccnc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl.Cl
• InChI: InChI=1S/C21H22Cl3N3O2.ClH/c1-28-20-10-15(12-25-5-2-7-27-8-6-26-14-27)9-19(24)21(20)29-13-16-3-4-17(22)11-18(16)23;/h3-4,6,8-11,14,25H,2,5,7,12-13H2,1H3;1H
• InChIKey: KIDSOOKOCZVSOR-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 48.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.25
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride?

The IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride (CID 17155442) is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride.

What is the SMILES notation for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride?

The canonical SMILES for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride is COc1cc(CNCCCn2ccnc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl.Cl.

What is the InChIKey of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride?

The InChIKey is KIDSOOKOCZVSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl3N3O2.ClH/c1-28-20-10-15(12-25-5-2-7-27-8-6-26-14-27)9-19(24)21(20)29-13-16-3-4-17(22)11-18(16)23;/h3-4,6,8-11,14,25H,2,5,7,12-13H2,1H3;1H.

What are the key properties of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride?

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride has a molecular weight of 491.25 g/mol, XLogP of 6.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 17155442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).