methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate

C32H34N4O4 — CID 123405809

About methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate

methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate (PubChem CID 123405809) has the molecular formula C32H34N4O4 and a molecular weight of 538.65 g/mol. Its IUPAC name is methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate
• PubChem CID: 123405809
• Molecular Formula: C32H34N4O4
• Molecular Weight: 538.65 g/mol
• Exact Mass: 538.26
• IUPAC Name: methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate
• SMILES: COC(=O)C1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCC5C(=O)OC)[nH]4)cc3)cc2)[nH]1
• InChI: InChI=1S/C32H34N4O4/c1-39-31(37)25-7-3-5-23(25)29-33-17-27(35-29)21-13-9-19(10-14-21)20-11-15-22(16-12-20)28-18-34-30(36-28)24-6-4-8-26(24)32(38)40-2/h9-18,23-26H,3-8H2,1-2H3,(H,33,35)(H,34,36)
• InChIKey: JDLFOJLIRSHGMB-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 109.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.65
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate?

The IUPAC name of methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate (CID 123405809) is methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate.

What is the SMILES notation for methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate?

The canonical SMILES for methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCC5C(=O)OC)[nH]4)cc3)cc2)[nH]1.

What is the InChIKey of methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate?

The InChIKey is JDLFOJLIRSHGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O4/c1-39-31(37)25-7-3-5-23(25)29-33-17-27(35-29)21-13-9-19(10-14-21)20-11-15-22(16-12-20)28-18-34-30(36-28)24-6-4-8-26(24)32(38)40-2/h9-18,23-26H,3-8H2,1-2H3,(H,33,35)(H,34,36).

What are the key properties of methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate?

methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate has a molecular weight of 538.65 g/mol, XLogP of 6.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[5-[4-[4-[2-(2-methoxycarbonylcyclopentyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]cyclopentane-1-carboxylate is sourced from PubChem (CID 123405809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).