[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone

C34H39Cl2N5O3 — CID 69141884

About [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone

[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone (PubChem CID 69141884) has the molecular formula C34H39Cl2N5O3 and a molecular weight of 636.62 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone
• PubChem CID: 69141884
• Molecular Formula: C34H39Cl2N5O3
• Molecular Weight: 636.62 g/mol
• Exact Mass: 635.24
• IUPAC Name: [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone
• SMILES: COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCN(N3CCCC3)CC2)c(OC(C)C)c1
• InChI: InChI=1S/C34H39Cl2N5O3/c1-23(2)44-30-22-28(43-3)14-15-29(30)33-37-31(24-6-10-26(35)11-7-24)32(25-8-12-27(36)13-9-25)41(33)34(42)38-18-20-40(21-19-38)39-16-4-5-17-39/h6-15,22-23,31-32H,4-5,16-21H2,1-3H3
• InChIKey: LKWLEQHSSARAIU-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 60.85 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.62
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone?

The IUPAC name of [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone (CID 69141884) is [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone.

What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone?

The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone is COc1ccc(C2=NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2C(=O)N2CCN(N3CCCC3)CC2)c(OC(C)C)c1.

What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone?

The InChIKey is LKWLEQHSSARAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39Cl2N5O3/c1-23(2)44-30-22-28(43-3)14-15-29(30)33-37-31(24-6-10-26(35)11-7-24)32(25-8-12-27(36)13-9-25)41(33)34(42)38-18-20-40(21-19-38)39-16-4-5-17-39/h6-15,22-23,31-32H,4-5,16-21H2,1-3H3.

What are the key properties of [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone?

[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone has a molecular weight of 636.62 g/mol, XLogP of 7.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 69141884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).