1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

C17H15FN4O — CID 168628619

IUPAC1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(F)c(Oc3ccccc3)c2)c(N)n1
InChIInChI=1S/C17H15FN4O/c1-12-11-22(17(19)21-12)20-10-13-7-8-15(18)16(9-13)23-14-5-3-2-4-6-14/h2-11H,1H3,(H2,19,21)
InChIKeyTWUIXPOHWYEPCA-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.59
Rot. Bonds4

About 1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628619) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628619
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCc1cn(N=Cc2ccc(F)c(Oc3ccccc3)c2)c(N)n1
InChIInChI=1S/C17H15FN4O/c1-12-11-22(17(19)21-12)20-10-13-7-8-15(18)16(9-13)23-14-5-3-2-4-6-14/h2-11H,1H3,(H2,19,21)
InChIKeyTWUIXPOHWYEPCA-UHFFFAOYSA-N
XLogP3.59
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.59
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

N~1~-[(E)-(4-methoxyphenyl)methylidene]-4-phenyl-1H-imidazole-1,2-diamine
CID 6858585
4-(4-methoxyphenyl)-N~1~-[(E)-(4-methoxyphenyl)methylidene]-1H-imidazole-1,2-diamine
CID 6858586
5-[(E)-1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole
CID 14852365
5-[1-(4-fluorophenyl)-5-(3-methoxyphenyl)pent-1-enyl]-1H-imidazole
CID 54388907
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
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
4-[(4-fluorophenoxy)methyl]-1-[(1E)-2-(3-methoxyphenyl)buta-1,3-dienyl]-2-methylimidazole
CID 155468138
5-[4-(2,4-difluoro-3-phenoxyphenyl)hexan-2-yl]-1H-imidazole
CID 160104843
(E,1Z)-3-[3-(2,2,3,3,4,4,4-heptafluorobutoxy)phenyl]-2-methyl-N-(3-methylimidazol-3-ium-1-yl)prop-2-enimidate
CID 166006195
5-[(3-Ethyl-4-fluorophenoxy)methyl]-1-methylimidazole
CID 167001211
(E)-3-[3-(2,2,3,3,4,4,4-heptafluorobutoxy)phenyl]-2-methyl-N-(3-methylimidazol-3-ium-1-yl)prop-2-enimidate
CID 167645026
1-{[(4-methoxyphenyl)methylidene]amino}-4-phenyl-1H-imidazol-2-amine
CID 765292

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628619) is 1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc(F)c(Oc3ccccc3)c2)c(N)n1.
What is the InChIKey of 1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is TWUIXPOHWYEPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-12-11-22(17(19)21-12)20-10-13-7-8-15(18)16(9-13)23-14-5-3-2-4-6-14/h2-11H,1H3,(H2,19,21).
What are the key properties of 1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 310.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-phenoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).