trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol

C22H26N4O2 — CID 167968281

About trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol

trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol (PubChem CID 167968281) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol.

Molecular Properties

• Compound Name: trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
• PubChem CID: 167968281
• Molecular Formula: C22H26N4O2
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.21
• IUPAC Name: trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
• SMILES: OCCc1ccc(N[C@@H]2CC(Cn3ccnc3-c3ccccc3)C[C@H]2O)nc1
• InChI: InChI=1S/C22H26N4O2/c27-11-8-16-6-7-21(24-14-16)25-19-12-17(13-20(19)28)15-26-10-9-23-22(26)18-4-2-1-3-5-18/h1-7,9-10,14,17,19-20,27-28H,8,11-13,15H2,(H,24,25)/t17?,19-,20-/m1/s1
• InChIKey: VXOKEJJESAAIEW-IPNZSQQUSA-N
• XLogP: 2.73
• TPSA: 83.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol?

The IUPAC name of trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol (CID 167968281) is trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol.

What is the SMILES notation for trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol?

The canonical SMILES for trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol is OCCc1ccc(N[C@@H]2CC(Cn3ccnc3-c3ccccc3)C[C@H]2O)nc1.

What is the InChIKey of trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol?

The InChIKey is VXOKEJJESAAIEW-IPNZSQQUSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-11-8-16-6-7-21(24-14-16)25-19-12-17(13-20(19)28)15-26-10-9-23-22(26)18-4-2-1-3-5-18/h1-7,9-10,14,17,19-20,27-28H,8,11-13,15H2,(H,24,25)/t17?,19-,20-/m1/s1.

What are the key properties of trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol?

trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol has a molecular weight of 378.48 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 167968281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).