1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine

C15H18N4O3 — CID 168628993

IUPAC1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cccc(OCC3OCCO3)c2)c(N)n1
InChIInChI=1S/C15H18N4O3/c1-11-9-19(15(16)18-11)17-8-12-3-2-4-13(7-12)22-10-14-20-5-6-21-14/h2-4,7-9,14H,5-6,10H2,1H3,(H2,16,18)
InChIKeySIFDRXFFNLVPJO-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.41
Rot. Bonds5

About 1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628993) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628993
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2cccc(OCC3OCCO3)c2)c(N)n1
InChIInChI=1S/C15H18N4O3/c1-11-9-19(15(16)18-11)17-8-12-3-2-4-13(7-12)22-10-14-20-5-6-21-14/h2-4,7-9,14H,5-6,10H2,1H3,(H2,16,18)
InChIKeySIFDRXFFNLVPJO-UHFFFAOYSA-N
XLogP1.41
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629559
4-[[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenoxy]methyl]benzonitrile
CID 168629174
1-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630092
1-[[3-[(2-bromophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630248
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methylideneamino]imidazol-2-amine
CID 168628572
1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630643
4-methyl-1-[[3-[(3,4,5-trifluorophenoxy)methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629171
[1-[3-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl]cyclohexyl]methanol
CID 168630764
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628982
1-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630176
1-[[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629270

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168628993) is 1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2cccc(OCC3OCCO3)c2)c(N)n1.
What is the InChIKey of 1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is SIFDRXFFNLVPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11-9-19(15(16)18-11)17-8-12-3-2-4-13(7-12)22-10-14-20-5-6-21-14/h2-4,7-9,14H,5-6,10H2,1H3,(H2,16,18).
What are the key properties of 1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 302.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).