4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one

C18H22ClN3O — CID 45185382

IUPAC4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCc1[nH]c(C2CC(=O)N(CC(C)C)C2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O/c1-11(2)9-22-10-14(8-16(22)23)18-20-12(3)17(21-18)13-4-6-15(19)7-5-13/h4-7,11,14H,8-10H2,1-3H3,(H,20,21)
InChIKeyODSXIHJMUCNXMO-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.01
Rot. Bonds4

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

4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 45185382) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID45185382
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCc1[nH]c(C2CC(=O)N(CC(C)C)C2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN3O/c1-11(2)9-22-10-14(8-16(22)23)18-20-12(3)17(21-18)13-4-6-15(19)7-5-13/h4-7,11,14H,8-10H2,1-3H3,(H,20,21)
InChIKeyODSXIHJMUCNXMO-UHFFFAOYSA-N
XLogP4.01
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one (CID 45185382) is 4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one is Cc1[nH]c(C2CC(=O)N(CC(C)C)C2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is ODSXIHJMUCNXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-11(2)9-22-10-14(8-16(22)23)18-20-12(3)17(21-18)13-4-6-15(19)7-5-13/h4-7,11,14H,8-10H2,1-3H3,(H,20,21).
What are the key properties of 4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 331.85 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 45185382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).