[2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol

C29H32N4O — CID 58490822

About [2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol

[2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol (PubChem CID 58490822) has the molecular formula C29H32N4O and a molecular weight of 452.60 g/mol. Its IUPAC name is [2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol.

Molecular Properties

• Compound Name: [2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol
• PubChem CID: 58490822
• Molecular Formula: C29H32N4O
• Molecular Weight: 452.60 g/mol
• Exact Mass: 452.26
• IUPAC Name: [2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol
• SMILES: OCc1cc(C2=CN=C([C@@H]3CCCN3)C2)ccc1-c1ccc(-c2cnc(C3CCCC3)[nH]2)cc1
• InChI: InChI=1S/C29H32N4O/c34-18-24-14-22(23-15-27(31-16-23)26-6-3-13-30-26)11-12-25(24)19-7-9-20(10-8-19)28-17-32-29(33-28)21-4-1-2-5-21/h7-12,14,16-17,21,26,30,34H,1-6,13,15,18H2,(H,32,33)/t26-/m0/s1
• InChIKey: CFXASAAPEZKSKR-SANMLTNESA-N
• XLogP: 5.83
• TPSA: 73.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.60
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol?

The IUPAC name of [2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol (CID 58490822) is [2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol.

What is the SMILES notation for [2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol?

The canonical SMILES for [2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol is OCc1cc(C2=CN=C([C@@H]3CCCN3)C2)ccc1-c1ccc(-c2cnc(C3CCCC3)[nH]2)cc1.

What is the InChIKey of [2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol?

The InChIKey is CFXASAAPEZKSKR-SANMLTNESA-N. The full InChI is InChI=1S/C29H32N4O/c34-18-24-14-22(23-15-27(31-16-23)26-6-3-13-30-26)11-12-25(24)19-7-9-20(10-8-19)28-17-32-29(33-28)21-4-1-2-5-21/h7-12,14,16-17,21,26,30,34H,1-6,13,15,18H2,(H,32,33)/t26-/m0/s1.

What are the key properties of [2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol?

[2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol has a molecular weight of 452.60 g/mol, XLogP of 5.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-5-[2-[(2S)-pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]methanol is sourced from PubChem (CID 58490822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).