(2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide

C32H35N5O — CID 67501037

About (2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide

(2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 67501037) has the molecular formula C32H35N5O and a molecular weight of 505.67 g/mol. Its IUPAC name is (2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide
• PubChem CID: 67501037
• Molecular Formula: C32H35N5O
• Molecular Weight: 505.67 g/mol
• Exact Mass: 505.28
• IUPAC Name: (2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide
• SMILES: O=C(Nc1ccc(CC(c2ccccc2)c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1)[C@@H]1CCCN1
• InChI: InChI=1S/C32H35N5O/c38-32(29-9-5-19-34-29)36-26-16-10-22(11-17-26)20-27(23-6-2-1-3-7-23)24-12-14-25(15-13-24)30-21-35-31(37-30)28-8-4-18-33-28/h1-3,6-7,10-17,21,27-29,33-34H,4-5,8-9,18-20H2,(H,35,37)(H,36,38)/t27?,28-,29-/m0/s1
• InChIKey: RSXXLWCFWKNXJJ-KEKPXRHTSA-N
• XLogP: 5.57
• TPSA: 81.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.67
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide (CID 67501037) is (2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(CC(c2ccccc2)c2ccc(-c3cnc([C@@H]4CCCN4)[nH]3)cc2)cc1)[C@@H]1CCCN1.

What is the InChIKey of (2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide?

The InChIKey is RSXXLWCFWKNXJJ-KEKPXRHTSA-N. The full InChI is InChI=1S/C32H35N5O/c38-32(29-9-5-19-34-29)36-26-16-10-22(11-17-26)20-27(23-6-2-1-3-7-23)24-12-14-25(15-13-24)30-21-35-31(37-30)28-8-4-18-33-28/h1-3,6-7,10-17,21,27-29,33-34H,4-5,8-9,18-20H2,(H,35,37)(H,36,38)/t27?,28-,29-/m0/s1.

What are the key properties of (2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide?

(2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 505.67 g/mol, XLogP of 5.57, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[4-[2-phenyl-2-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67501037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).