1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine

C18H23FN4O — CID 168629214

IUPAC1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(F)cc2COC2CCCCC2)c(N)n1
InChIInChI=1S/C18H23FN4O/c1-13-11-23(18(20)22-13)21-10-14-7-8-16(19)9-15(14)12-24-17-5-3-2-4-6-17/h7-11,17H,2-6,12H2,1H3,(H2,20,22)
InChIKeyIIORGJJRJVFQKZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.64
Rot. Bonds5

About 1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168629214) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168629214
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(F)cc2COC2CCCCC2)c(N)n1
InChIInChI=1S/C18H23FN4O/c1-13-11-23(18(20)22-13)21-10-14-7-8-16(19)9-15(14)12-24-17-5-3-2-4-6-17/h7-11,17H,2-6,12H2,1H3,(H2,20,22)
InChIKeyIIORGJJRJVFQKZ-UHFFFAOYSA-N
XLogP3.64
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.64
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-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168629214) is 1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc(F)cc2COC2CCCCC2)c(N)n1.
What is the InChIKey of 1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is IIORGJJRJVFQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-13-11-23(18(20)22-13)21-10-14-7-8-16(19)9-15(14)12-24-17-5-3-2-4-6-17/h7-11,17H,2-6,12H2,1H3,(H2,20,22).
What are the key properties of 1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 330.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168629214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).