2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione

C14H15ClFN3O2 — CID 18717328

IUPAC2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
SMILESCc1cc(Cl)c(C)nc1N1C(=O)C2CC(C)(F)CN2C1=O
InChIInChI=1S/C14H15ClFN3O2/c1-7-4-9(15)8(2)17-11(7)19-12(20)10-5-14(3,16)6-18(10)13(19)21/h4,10H,5-6H2,1-3H3
InChIKeyFOODPALXMDTCMP-UHFFFAOYSA-N
MW311.74 g/mol
LogP2.62
Rot. Bonds1

About 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione

2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 18717328) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID18717328
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC Name2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
SMILESCc1cc(Cl)c(C)nc1N1C(=O)C2CC(C)(F)CN2C1=O
InChIInChI=1S/C14H15ClFN3O2/c1-7-4-9(15)8(2)17-11(7)19-12(20)10-5-14(3,16)6-18(10)13(19)21/h4,10H,5-6H2,1-3H3
InChIKeyFOODPALXMDTCMP-UHFFFAOYSA-N
XLogP2.62
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione (CID 18717328) is 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione is Cc1cc(Cl)c(C)nc1N1C(=O)C2CC(C)(F)CN2C1=O.
What is the InChIKey of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is FOODPALXMDTCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c1-7-4-9(15)8(2)17-11(7)19-12(20)10-5-14(3,16)6-18(10)13(19)21/h4,10H,5-6H2,1-3H3.
What are the key properties of 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 311.74 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,6-dimethyl-2-pyridinyl)-6-fluoro-6-methyl-7,7a-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 18717328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).