1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine

C18H24FN5 — CID 168629050

IUPAC1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(CN3CCC(C)CC3)c(F)c2)c(N)n1
InChIInChI=1S/C18H24FN5/c1-13-5-7-23(8-6-13)12-16-4-3-15(9-17(16)19)10-21-24-11-14(2)22-18(24)20/h3-4,9-11,13H,5-8,12H2,1-2H3,(H2,20,22)
InChIKeyVERLEJVRFBHQHH-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.03
Rot. Bonds4

About 1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629050) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629050
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(CN3CCC(C)CC3)c(F)c2)c(N)n1
InChIInChI=1S/C18H24FN5/c1-13-5-7-23(8-6-13)12-16-4-3-15(9-17(16)19)10-21-24-11-14(2)22-18(24)20/h3-4,9-11,13H,5-8,12H2,1-2H3,(H2,20,22)
InChIKeyVERLEJVRFBHQHH-UHFFFAOYSA-N
XLogP3.03
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168629050) is 1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc(CN3CCC(C)CC3)c(F)c2)c(N)n1.
What is the InChIKey of 1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is VERLEJVRFBHQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5/c1-13-5-7-23(8-6-13)12-16-4-3-15(9-17(16)19)10-21-24-11-14(2)22-18(24)20/h3-4,9-11,13H,5-8,12H2,1-2H3,(H2,20,22).
What are the key properties of 1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 329.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).