1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine

C15H18FN5 — CID 168629406

IUPAC1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(N3CCCC3)cc2F)c(N)n1
InChIInChI=1S/C15H18FN5/c1-11-10-21(15(17)19-11)18-9-12-4-5-13(8-14(12)16)20-6-2-3-7-20/h4-5,8-10H,2-3,6-7H2,1H3,(H2,17,19)
InChIKeyYGXIYTOATYYZOO-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.40
Rot. Bonds3

About 1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629406) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629406
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(N3CCCC3)cc2F)c(N)n1
InChIInChI=1S/C15H18FN5/c1-11-10-21(15(17)19-11)18-9-12-4-5-13(8-14(12)16)20-6-2-3-7-20/h4-5,8-10H,2-3,6-7H2,1H3,(H2,17,19)
InChIKeyYGXIYTOATYYZOO-UHFFFAOYSA-N
XLogP2.40
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168629406) is 1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc(N3CCCC3)cc2F)c(N)n1.
What is the InChIKey of 1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is YGXIYTOATYYZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c1-11-10-21(15(17)19-11)18-9-12-4-5-13(8-14(12)16)20-6-2-3-7-20/h4-5,8-10H,2-3,6-7H2,1H3,(H2,17,19).
What are the key properties of 1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 287.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).