(3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one)

C166H182N18O6 — CID 159325965

IUPAC(3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one)
SMILESCc1ccc(Cn2cncc2CC[C@@H]2CCN(C3CCCc4ccccc43)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@@H]2CCN(C3CCCc4ccccc43)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@@H]2CCN(c3cccc(-c4ccccc4)c3)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(C3CCCc4ccccc43)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(C3CCCc4ccccc43)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(c3cccc(-c4ccccc4)c3)C2=O)cc1
InChIInChI=1S/2C29H29N3O.4C27H31N3O/c2*1-22-10-12-23(13-11-22)20-31-21-30-19-28(31)15-14-25-16-17-32(29(25)33)27-9-5-8-26(18-27)24-6-3-2-4-7-24;4*1-20-9-11-21(12-10-20)18-29-19-28-17-24(29)14-13-23-15-16-30(27(23)31)26-8-4-6-22-5-2-3-7-25(22)26/h2*2-13,18-19,21,25H,14-17,20H2,1H3;4*2-3,5,7,9-12,17,19,23,26H,4,6,8,13-16,18H2,1H3/t2*25-;4*23-,26?/m101100/s1
InChIKeyLEJFMPKPKDFHEF-GBTAGSILSA-N
MW2525.40 g/mol
LogP32.18
Rot. Bonds38

About (3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one)

(3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one) (PubChem CID 159325965) has the molecular formula C166H182N18O6 and a molecular weight of 2525.40 g/mol. Its IUPAC name is (3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one).

Molecular Properties

Compound Name(3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one)
PubChem CID159325965
Molecular FormulaC166H182N18O6
Molecular Weight2525.40 g/mol
Exact Mass2523.45
IUPAC Name(3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one)
SMILESCc1ccc(Cn2cncc2CC[C@@H]2CCN(C3CCCc4ccccc43)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@@H]2CCN(C3CCCc4ccccc43)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@@H]2CCN(c3cccc(-c4ccccc4)c3)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(C3CCCc4ccccc43)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(C3CCCc4ccccc43)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(c3cccc(-c4ccccc4)c3)C2=O)cc1
InChIInChI=1S/2C29H29N3O.4C27H31N3O/c2*1-22-10-12-23(13-11-22)20-31-21-30-19-28(31)15-14-25-16-17-32(29(25)33)27-9-5-8-26(18-27)24-6-3-2-4-7-24;4*1-20-9-11-21(12-10-20)18-29-19-28-17-24(29)14-13-23-15-16-30(27(23)31)26-8-4-6-22-5-2-3-7-25(22)26/h2*2-13,18-19,21,25H,14-17,20H2,1H3;4*2-3,5,7,9-12,17,19,23,26H,4,6,8,13-16,18H2,1H3/t2*25-;4*23-,26?/m101100/s1
InChIKeyLEJFMPKPKDFHEF-GBTAGSILSA-N
XLogP32.18
TPSA228.78 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds38
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002525.40
LogP ≤ 532.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze (3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one)?
The IUPAC name of (3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one) (CID 159325965) is (3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one).
What is the SMILES notation for (3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one)?
The canonical SMILES for (3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one) is Cc1ccc(Cn2cncc2CC[C@@H]2CCN(C3CCCc4ccccc43)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@@H]2CCN(C3CCCc4ccccc43)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@@H]2CCN(c3cccc(-c4ccccc4)c3)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(C3CCCc4ccccc43)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(C3CCCc4ccccc43)C2=O)cc1.Cc1ccc(Cn2cncc2CC[C@H]2CCN(c3cccc(-c4ccccc4)c3)C2=O)cc1.
What is the InChIKey of (3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one)?
The InChIKey is LEJFMPKPKDFHEF-GBTAGSILSA-N. The full InChI is InChI=1S/2C29H29N3O.4C27H31N3O/c2*1-22-10-12-23(13-11-22)20-31-21-30-19-28(31)15-14-25-16-17-32(29(25)33)27-9-5-8-26(18-27)24-6-3-2-4-7-24;4*1-20-9-11-21(12-10-20)18-29-19-28-17-24(29)14-13-23-15-16-30(27(23)31)26-8-4-6-22-5-2-3-7-25(22)26/h2*2-13,18-19,21,25H,14-17,20H2,1H3;4*2-3,5,7,9-12,17,19,23,26H,4,6,8,13-16,18H2,1H3/t2*25-;4*23-,26?/m101100/s1.
What are the key properties of (3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one)?
(3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one) has a molecular weight of 2525.40 g/mol, XLogP of 32.18, 38 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;(3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(3-phenylphenyl)pyrrolidin-2-one;bis((3R)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one);bis((3S)-3-[2-[3-[(4-methylphenyl)methyl]imidazol-4-yl]ethyl]-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-2-one) is sourced from PubChem (CID 159325965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).