3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one

C22H19ClF2N4O — CID 10025623

IUPAC3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one
SMILESCCn1cc(C2=N[C@@H](C)[C@@](c3ccc(F)cc3)(c3ccnc(F)c3)N2)cc(Cl)c1=O
InChIInChI=1S/C22H19ClF2N4O/c1-3-29-12-14(10-18(23)21(29)30)20-27-13(2)22(28-20,15-4-6-17(24)7-5-15)16-8-9-26-19(25)11-16/h4-13H,3H2,1-2H3,(H,27,28)/t13-,22+/m0/s1
InChIKeyMTQUYXNYDHHACT-WHEQGISXSA-N
MW428.87 g/mol
LogP3.88
Rot. Bonds4

About 3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one

3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one (PubChem CID 10025623) has the molecular formula C22H19ClF2N4O and a molecular weight of 428.87 g/mol. Its IUPAC name is 3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one
PubChem CID10025623
Molecular FormulaC22H19ClF2N4O
Molecular Weight428.87 g/mol
Exact Mass428.12
IUPAC Name3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one
SMILESCCn1cc(C2=N[C@@H](C)[C@@](c3ccc(F)cc3)(c3ccnc(F)c3)N2)cc(Cl)c1=O
InChIInChI=1S/C22H19ClF2N4O/c1-3-29-12-14(10-18(23)21(29)30)20-27-13(2)22(28-20,15-4-6-17(24)7-5-15)16-8-9-26-19(25)11-16/h4-13H,3H2,1-2H3,(H,27,28)/t13-,22+/m0/s1
InChIKeyMTQUYXNYDHHACT-WHEQGISXSA-N
XLogP3.88
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one?
The IUPAC name of 3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one (CID 10025623) is 3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one.
What is the SMILES notation for 3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one?
The canonical SMILES for 3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one is CCn1cc(C2=N[C@@H](C)[C@@](c3ccc(F)cc3)(c3ccnc(F)c3)N2)cc(Cl)c1=O.
What is the InChIKey of 3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one?
The InChIKey is MTQUYXNYDHHACT-WHEQGISXSA-N. The full InChI is InChI=1S/C22H19ClF2N4O/c1-3-29-12-14(10-18(23)21(29)30)20-27-13(2)22(28-20,15-4-6-17(24)7-5-15)16-8-9-26-19(25)11-16/h4-13H,3H2,1-2H3,(H,27,28)/t13-,22+/m0/s1.
What are the key properties of 3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one?
3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one has a molecular weight of 428.87 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethyl-5-[(4S,5R)-5-(4-fluorophenyl)-5-(2-fluoro-4-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridin-2-one is sourced from PubChem (CID 10025623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).