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

C13H14F2N4O — CID 168628798

IUPAC1-[(3-ethoxy-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCOc1c(F)ccc(C=Nn2cc(C)nc2N)c1F
InChIInChI=1S/C13H14F2N4O/c1-3-20-12-10(14)5-4-9(11(12)15)6-17-19-7-8(2)18-13(19)16/h4-7H,3H2,1-2H3,(H2,16,18)
InChIKeyBSVCAPBGEUGMAU-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.33
Rot. Bonds4

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

1-[(3-ethoxy-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628798) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[(3-ethoxy-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-ethoxy-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628798
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name1-[(3-ethoxy-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCOc1c(F)ccc(C=Nn2cc(C)nc2N)c1F
InChIInChI=1S/C13H14F2N4O/c1-3-20-12-10(14)5-4-9(11(12)15)6-17-19-7-8(2)18-13(19)16/h4-7H,3H2,1-2H3,(H2,16,18)
InChIKeyBSVCAPBGEUGMAU-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

4-[3-(3-Trifluoromethyl-phenoxy)-propyl]-1H-imidazole
CID 9838305
4-[2-(3-Trifluoromethyl-phenoxy)-ethyl]-1H-imidazole
CID 11230596
5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole
CID 11391965
5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole
CID 21193524
4-(3-Trifluoromethyl-phenoxymethyl)-1h-imidazole
CID 24953572
1-methyl-N-[2-(3-methylphenoxy)butyl]-5-(trifluoromethyl)imidazol-2-amine
CID 71050589
3-Fluoro-14-methyl-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene
CID 86267805
5-[3-(3-ethyl-2,4,5-trifluorophenoxy)propyl]-1H-imidazole
CID 88366299
5-[(3-Fluoro-2-methylphenoxy)methyl]-1-methylimidazole
CID 122607403
3-Fluoro-7-oxa-11,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2,4,6(23),15(22),16,18-heptaene
CID 136325916
5-[(4-Fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole
CID 163255095
4-[(4-Fluoro-3-propan-2-ylphenoxy)methyl]-1-methylimidazole
CID 163255200

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(3-ethoxy-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628798) is 1-[(3-ethoxy-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3-ethoxy-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(3-ethoxy-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine is CCOc1c(F)ccc(C=Nn2cc(C)nc2N)c1F.
What is the InChIKey of 1-[(3-ethoxy-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is BSVCAPBGEUGMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-3-20-12-10(14)5-4-9(11(12)15)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-[(3-ethoxy-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(3-ethoxy-2,4-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-[(3-ethoxy-2,4-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).