1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one

C19H25N3O2 — CID 45242567

IUPAC1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCC(C)Oc1cccc(-c2cnc(C3CC(=O)N(C(C)C)C3)[nH]2)c1
InChIInChI=1S/C19H25N3O2/c1-12(2)22-11-15(9-18(22)23)19-20-10-17(21-19)14-6-5-7-16(8-14)24-13(3)4/h5-8,10,12-13,15H,9,11H2,1-4H3,(H,20,21)
InChIKeyOSEXTGJBKJMVAM-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.59
Rot. Bonds5

About 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one

1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one (PubChem CID 45242567) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
PubChem CID45242567
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCC(C)Oc1cccc(-c2cnc(C3CC(=O)N(C(C)C)C3)[nH]2)c1
InChIInChI=1S/C19H25N3O2/c1-12(2)22-11-15(9-18(22)23)19-20-10-17(21-19)14-6-5-7-16(8-14)24-13(3)4/h5-8,10,12-13,15H,9,11H2,1-4H3,(H,20,21)
InChIKeyOSEXTGJBKJMVAM-UHFFFAOYSA-N
XLogP3.59
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one (CID 45242567) is 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one is CC(C)Oc1cccc(-c2cnc(C3CC(=O)N(C(C)C)C3)[nH]2)c1.
What is the InChIKey of 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The InChIKey is OSEXTGJBKJMVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)22-11-15(9-18(22)23)19-20-10-17(21-19)14-6-5-7-16(8-14)24-13(3)4/h5-8,10,12-13,15H,9,11H2,1-4H3,(H,20,21).
What are the key properties of 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one has a molecular weight of 327.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 45242567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).