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

C22H27N5O — CID 45240771

IUPAC1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCCCn1ncc(-c2cnc(C3CC(=O)N(Cc4ccc(C)cc4)C3)[nH]2)c1C
InChIInChI=1S/C22H27N5O/c1-4-9-27-16(3)19(11-24-27)20-12-23-22(25-20)18-10-21(28)26(14-18)13-17-7-5-15(2)6-8-17/h5-8,11-12,18H,4,9-10,13-14H2,1-3H3,(H,23,25)
InChIKeyKEOJELVABXPLAO-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.82
Rot. Bonds6

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

1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one (PubChem CID 45240771) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
PubChem CID45240771
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCCCn1ncc(-c2cnc(C3CC(=O)N(Cc4ccc(C)cc4)C3)[nH]2)c1C
InChIInChI=1S/C22H27N5O/c1-4-9-27-16(3)19(11-24-27)20-12-23-22(25-20)18-10-21(28)26(14-18)13-17-7-5-15(2)6-8-17/h5-8,11-12,18H,4,9-10,13-14H2,1-3H3,(H,23,25)
InChIKeyKEOJELVABXPLAO-UHFFFAOYSA-N
XLogP3.82
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 30882284
4-(5-pyridin-3-yl-1H-imidazol-2-yl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 45176766
1-[(4-methylphenyl)methyl]-4-phenylpyrrolidin-2-one
CID 155799488
(4S)-4-[4-(4-methoxyphenyl)-5-methyl-1H-imidazol-2-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 30936507
4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45204048
(4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 31192333
1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45222470
(4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 96571566
(4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one
CID 29085956
4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 45202527
(4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 31073934
(4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 31045164

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one (CID 45240771) is 1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one is CCCn1ncc(-c2cnc(C3CC(=O)N(Cc4ccc(C)cc4)C3)[nH]2)c1C.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The InChIKey is KEOJELVABXPLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-4-9-27-16(3)19(11-24-27)20-12-23-22(25-20)18-10-21(28)26(14-18)13-17-7-5-15(2)6-8-17/h5-8,11-12,18H,4,9-10,13-14H2,1-3H3,(H,23,25).
What are the key properties of 1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-4-[5-(5-methyl-1-propylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 45240771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).