[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride

C34H39Cl3N4O3 — CID 22721203

About [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride

[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride (PubChem CID 22721203) has the molecular formula C34H39Cl3N4O3 and a molecular weight of 658.07 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

• Compound Name: [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride
• PubChem CID: 22721203
• Molecular Formula: C34H39Cl3N4O3
• Molecular Weight: 658.07 g/mol
• Exact Mass: 656.21
• IUPAC Name: [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride
• SMILES: CCOc1cc(OC)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCC(N2CCCC2)CC1.Cl
• InChI: InChI=1S/C34H38Cl2N4O3.ClH/c1-3-43-30-22-28(42-2)14-15-29(30)33-37-31(23-6-10-25(35)11-7-23)32(24-8-12-26(36)13-9-24)40(33)34(41)39-20-16-27(17-21-39)38-18-4-5-19-38;/h6-15,22,27,31-32H,3-5,16-21H2,1-2H3;1H
• InChIKey: PXDIHGLNJAMMMA-UHFFFAOYSA-N
• XLogP: 8.05
• TPSA: 57.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.07
LogP ≤ 5	8.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride?

The IUPAC name of [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride (CID 22721203) is [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride.

What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride?

The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride is CCOc1cc(OC)ccc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCC(N2CCCC2)CC1.Cl.

What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride?

The InChIKey is PXDIHGLNJAMMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38Cl2N4O3.ClH/c1-3-43-30-22-28(42-2)14-15-29(30)33-37-31(23-6-10-25(35)11-7-23)32(24-8-12-26(36)13-9-24)40(33)34(41)39-20-16-27(17-21-39)38-18-4-5-19-38;/h6-15,22,27,31-32H,3-5,16-21H2,1-2H3;1H.

What are the key properties of [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride?

[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride has a molecular weight of 658.07 g/mol, XLogP of 8.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 22721203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).