(4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one

C20H24ClN3O — CID 28697383

IUPAC(4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
SMILESCCc1[nH]c([C@H]2CC(=O)N(C3CCCC3)C2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O/c1-2-17-19(13-7-9-15(21)10-8-13)23-20(22-17)14-11-18(25)24(12-14)16-5-3-4-6-16/h7-10,14,16H,2-6,11-12H2,1H3,(H,22,23)/t14-/m0/s1
InChIKeyPOSVHCKGVFJZCN-AWEZNQCLSA-N
MW357.89 g/mol
LogP4.55
Rot. Bonds4

About (4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one

(4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one (PubChem CID 28697383) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is (4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
PubChem CID28697383
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name(4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
SMILESCCc1[nH]c([C@H]2CC(=O)N(C3CCCC3)C2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O/c1-2-17-19(13-7-9-15(21)10-8-13)23-20(22-17)14-11-18(25)24(12-14)16-5-3-4-6-16/h7-10,14,16H,2-6,11-12H2,1H3,(H,22,23)/t14-/m0/s1
InChIKeyPOSVHCKGVFJZCN-AWEZNQCLSA-N
XLogP4.55
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one (CID 28697383) is (4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one is CCc1[nH]c([C@H]2CC(=O)N(C3CCCC3)C2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of (4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one?
The InChIKey is POSVHCKGVFJZCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-2-17-19(13-7-9-15(21)10-8-13)23-20(22-17)14-11-18(25)24(12-14)16-5-3-4-6-16/h7-10,14,16H,2-6,11-12H2,1H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one?
(4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one has a molecular weight of 357.89 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(4-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 28697383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).