(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one

C24H27N3O — CID 58120227

IUPAC(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1cccc(CN2CC[C@H](CCc3cncn3Cc3ccccc3)C2=O)c1
InChIInChI=1S/C24H27N3O/c1-19-6-5-9-21(14-19)17-26-13-12-22(24(26)28)10-11-23-15-25-18-27(23)16-20-7-3-2-4-8-20/h2-9,14-15,18,22H,10-13,16-17H2,1H3/t22-/m0/s1
InChIKeyKLSBLTRQPSDTBW-QFIPXVFZSA-N
MW373.50 g/mol
LogP4.22
Rot. Bonds7

About (3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one

(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 58120227) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID58120227
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1cccc(CN2CC[C@H](CCc3cncn3Cc3ccccc3)C2=O)c1
InChIInChI=1S/C24H27N3O/c1-19-6-5-9-21(14-19)17-26-13-12-22(24(26)28)10-11-23-15-25-18-27(23)16-20-7-3-2-4-8-20/h2-9,14-15,18,22H,10-13,16-17H2,1H3/t22-/m0/s1
InChIKeyKLSBLTRQPSDTBW-QFIPXVFZSA-N
XLogP4.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one (CID 58120227) is (3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one is Cc1cccc(CN2CC[C@H](CCc3cncn3Cc3ccccc3)C2=O)c1.
What is the InChIKey of (3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is KLSBLTRQPSDTBW-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H27N3O/c1-19-6-5-9-21(14-19)17-26-13-12-22(24(26)28)10-11-23-15-25-18-27(23)16-20-7-3-2-4-8-20/h2-9,14-15,18,22H,10-13,16-17H2,1H3/t22-/m0/s1.
What are the key properties of (3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one?
(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 373.50 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 58120227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).