4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine

C17H22N4O2 — CID 168629008

IUPAC4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc(COCC3CCCO3)cc2)c(N)n1
InChIInChI=1S/C17H22N4O2/c1-13-10-21(17(18)20-13)19-9-14-4-6-15(7-5-14)11-22-12-16-3-2-8-23-16/h4-7,9-10,16H,2-3,8,11-12H2,1H3,(H2,18,20)
InChIKeyDDNFHIOMEJUESU-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.35
Rot. Bonds6

About 4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine

4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine (PubChem CID 168629008) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine
PubChem CID168629008
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine
SMILESCc1cn(N=Cc2ccc(COCC3CCCO3)cc2)c(N)n1
InChIInChI=1S/C17H22N4O2/c1-13-10-21(17(18)20-13)19-9-14-4-6-15(7-5-14)11-22-12-16-3-2-8-23-16/h4-7,9-10,16H,2-3,8,11-12H2,1H3,(H2,18,20)
InChIKeyDDNFHIOMEJUESU-UHFFFAOYSA-N
XLogP2.35
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[(2S)-oxolan-2-yl]methoxymethyl]benzaldehyde
CID 97294037
1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628993
4-methyl-1-[[4-(2-methylpropylsulfanyl)phenyl]methylideneamino]imidazol-2-amine
CID 168630371
N-[2-[4-(oxolan-2-ylmethoxymethyl)phenyl]ethyl]propan-2-amine
CID 105349489
4-(oxolan-2-ylmethoxymethyl)benzonitrile
CID 24707627
[3-(oxolan-2-ylmethoxymethyl)phenyl]methylidenehydrazine
CID 168529344
4-[[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]methyl]benzonitrile
CID 168629174
methyl 4-(oxolan-2-ylmethoxymethyl)benzoate
CID 43120523
4-methyl-N-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617353
1-[[2-(cyclohexyloxymethyl)-4-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629214
6-[(2-amino-4-methylimidazol-1-yl)iminomethyl]chromen-2-one
CID 168628769
4-methyl-1-[(2-methylindazol-6-yl)methylideneamino]imidazol-2-amine
CID 168630728

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine (CID 168629008) is 4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine is Cc1cn(N=Cc2ccc(COCC3CCCO3)cc2)c(N)n1.
What is the InChIKey of 4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine?
The InChIKey is DDNFHIOMEJUESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-10-21(17(18)20-13)19-9-14-4-6-15(7-5-14)11-22-12-16-3-2-8-23-16/h4-7,9-10,16H,2-3,8,11-12H2,1H3,(H2,18,20).
What are the key properties of 4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine?
4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine has a molecular weight of 314.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168629008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).