2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one

C19H22ClN3O2 — CID 25099411

IUPAC2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)C1=C(O)C(=O)N(CCCn2ccnc2)C1c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O2/c1-13(2)16-17(14-5-3-6-15(20)11-14)23(19(25)18(16)24)9-4-8-22-10-7-21-12-22/h3,5-7,10-13,17,24H,4,8-9H2,1-2H3
InChIKeyNUMNTPRXMBWJOJ-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.98
Rot. Bonds6

About 2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one

2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one (PubChem CID 25099411) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one
PubChem CID25099411
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one
SMILESCC(C)C1=C(O)C(=O)N(CCCn2ccnc2)C1c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O2/c1-13(2)16-17(14-5-3-6-15(20)11-14)23(19(25)18(16)24)9-4-8-22-10-7-21-12-22/h3,5-7,10-13,17,24H,4,8-9H2,1-2H3
InChIKeyNUMNTPRXMBWJOJ-UHFFFAOYSA-N
XLogP3.98
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one?
The IUPAC name of 2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one (CID 25099411) is 2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one is CC(C)C1=C(O)C(=O)N(CCCn2ccnc2)C1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one?
The InChIKey is NUMNTPRXMBWJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13(2)16-17(14-5-3-6-15(20)11-14)23(19(25)18(16)24)9-4-8-22-10-7-21-12-22/h3,5-7,10-13,17,24H,4,8-9H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one?
2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one has a molecular weight of 359.86 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-3-propan-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 25099411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).