(2S)-1-[(2S)-2-[5-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-ol

C33H41N5O — CID 162036626

About (2S)-1-[(2S)-2-[5-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-ol

(2S)-1-[(2S)-2-[5-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-ol (PubChem CID 162036626) has the molecular formula C33H41N5O and a molecular weight of 523.73 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-[5-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-ol.

Molecular Properties

• Compound Name: (2S)-1-[(2S)-2-[5-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-ol
• PubChem CID: 162036626
• Molecular Formula: C33H41N5O
• Molecular Weight: 523.73 g/mol
• Exact Mass: 523.33
• IUPAC Name: (2S)-1-[(2S)-2-[5-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-ol
• SMILES: CC(C)[C@H](C)C(O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCC5)[nH]4)cc3)cc2)[nH]1
• InChI: InChI=1S/C33H41N5O/c1-21(2)22(3)33(39)38-18-6-9-30(38)32-35-20-29(37-32)26-16-12-24(13-17-26)23-10-14-25(15-11-23)28-19-34-31(36-28)27-7-4-5-8-27/h10-17,19-22,27,30,33,39H,4-9,18H2,1-3H3,(H,34,36)(H,35,37)/t22-,30-,33?/m0/s1
• InChIKey: YWSRLTHWAYHWPX-QXGDSVIYSA-N
• XLogP: 7.54
• TPSA: 80.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.73
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2S)-1-[(2S)-2-[5-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-ol (CID 162036626) is (2S)-1-[(2S)-2-[5-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-ol.

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

The canonical SMILES for (2S)-1-[(2S)-2-[5-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-ol is CC(C)[C@H](C)C(O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCC5)[nH]4)cc3)cc2)[nH]1.

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

The InChIKey is YWSRLTHWAYHWPX-QXGDSVIYSA-N. The full InChI is InChI=1S/C33H41N5O/c1-21(2)22(3)33(39)38-18-6-9-30(38)32-35-20-29(37-32)26-16-12-24(13-17-26)23-10-14-25(15-11-23)28-19-34-31(36-28)27-7-4-5-8-27/h10-17,19-22,27,30,33,39H,4-9,18H2,1-3H3,(H,34,36)(H,35,37)/t22-,30-,33?/m0/s1.

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

(2S)-1-[(2S)-2-[5-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-ol has a molecular weight of 523.73 g/mol, XLogP of 7.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(2S)-2-[5-[4-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 162036626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).