1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one

C22H23N3O2 — CID 45222470

IUPAC1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1CN1CC(c2ncc(-c3cccc(C)c3)[nH]2)CC1=O
InChIInChI=1S/C22H23N3O2/c1-15-6-5-8-16(10-15)19-12-23-22(24-19)18-11-21(26)25(14-18)13-17-7-3-4-9-20(17)27-2/h3-10,12,18H,11,13-14H2,1-2H3,(H,23,24)
InChIKeyJVBJVAXQVCCWCC-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.91
Rot. Bonds5

About 1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one

1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one (PubChem CID 45222470) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
PubChem CID45222470
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1CN1CC(c2ncc(-c3cccc(C)c3)[nH]2)CC1=O
InChIInChI=1S/C22H23N3O2/c1-15-6-5-8-16(10-15)19-12-23-22(24-19)18-11-21(26)25(14-18)13-17-7-3-4-9-20(17)27-2/h3-10,12,18H,11,13-14H2,1-2H3,(H,23,24)
InChIKeyJVBJVAXQVCCWCC-UHFFFAOYSA-N
XLogP3.91
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 30882284
(4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 31192333
4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 45202527
4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 45176766
N-ethyl-1-[(2-methoxyphenyl)methyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113183889
4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45204048
5-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973516
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115071395
1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine
CID 116881129
(4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 31161681

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one (CID 45222470) is 1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one is COc1ccccc1CN1CC(c2ncc(-c3cccc(C)c3)[nH]2)CC1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The InChIKey is JVBJVAXQVCCWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-6-5-8-16(10-15)19-12-23-22(24-19)18-11-21(26)25(14-18)13-17-7-3-4-9-20(17)27-2/h3-10,12,18H,11,13-14H2,1-2H3,(H,23,24).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one has a molecular weight of 361.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 45222470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).