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

C34H37Cl2FN4O3 — CID 22720993

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

[4,5-bis(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 22720993) has the molecular formula C34H37Cl2FN4O3 and a molecular weight of 639.60 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [4,5-bis(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
• PubChem CID: 22720993
• Molecular Formula: C34H37Cl2FN4O3
• Molecular Weight: 639.60 g/mol
• Exact Mass: 638.22
• IUPAC Name: [4,5-bis(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
• SMILES: COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCC(N3CCCC3)CC2)c(OCCF)c1
• InChI: InChI=1S/C34H37Cl2FN4O3/c1-43-28-12-13-29(30(22-28)44-21-16-37)33-38-31(23-4-8-25(35)9-5-23)32(24-6-10-26(36)11-7-24)41(33)34(42)40-19-14-27(15-20-40)39-17-2-3-18-39/h4-13,22,27,31-32H,2-3,14-21H2,1H3
• InChIKey: HCEUNXYFKHLXCO-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 57.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.60
LogP ≤ 5	7.58
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-(2-fluoroethoxy)-4-methoxyphenyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?

The IUPAC name of [4,5-bis(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 22720993) is [4,5-bis(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

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

The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCC(N3CCCC3)CC2)c(OCCF)c1.

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

The InChIKey is HCEUNXYFKHLXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37Cl2FN4O3/c1-43-28-12-13-29(30(22-28)44-21-16-37)33-38-31(23-4-8-25(35)9-5-23)32(24-6-10-26(36)11-7-24)41(33)34(42)40-19-14-27(15-20-40)39-17-2-3-18-39/h4-13,22,27,31-32H,2-3,14-21H2,1H3.

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

[4,5-bis(4-chlorophenyl)-2-[2-(2-fluoroethoxy)-4-methoxyphenyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 639.60 g/mol, XLogP of 7.58, 8 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-(2-fluoroethoxy)-4-methoxyphenyl]-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 22720993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).