1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine

C13H14F2N4O — CID 168630075

IUPAC1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCOc1ccc(F)c(F)c1C=Nn1cc(C)nc1N
InChIInChI=1S/C13H14F2N4O/c1-3-20-11-5-4-10(14)12(15)9(11)6-17-19-7-8(2)18-13(19)16/h4-7H,3H2,1-2H3,(H2,16,18)
InChIKeyMSJHNRCGZAQODH-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.33
Rot. Bonds4

About 1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168630075) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168630075
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCOc1ccc(F)c(F)c1C=Nn1cc(C)nc1N
InChIInChI=1S/C13H14F2N4O/c1-3-20-11-5-4-10(14)12(15)9(11)6-17-19-7-8(2)18-13(19)16/h4-7H,3H2,1-2H3,(H2,16,18)
InChIKeyMSJHNRCGZAQODH-UHFFFAOYSA-N
XLogP2.33
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628758
1-[(2-methoxynaphthalen-1-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628519
1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628889
1-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630140
1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628979
1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630643
1-[(3-chloro-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628790
4-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]imidazol-2-amine
CID 168629899
1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630138
1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629163
1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628950
4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-5-chloro-2-ethoxyphenol
CID 168630716

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168630075) is 1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine is CCOc1ccc(F)c(F)c1C=Nn1cc(C)nc1N.
What is the InChIKey of 1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is MSJHNRCGZAQODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-3-20-11-5-4-10(14)12(15)9(11)6-17-19-7-8(2)18-13(19)16/h4-7H,3H2,1-2H3,(H2,16,18).
What are the key properties of 1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 280.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168630075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).