1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

C17H22F2N4O — CID 168628950

IUPAC1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCCCCCOc1cc(C=Nn2cc(C)nc2N)cc(F)c1F
InChIInChI=1S/C17H22F2N4O/c1-3-4-5-6-7-24-15-9-13(8-14(18)16(15)19)10-21-23-11-12(2)22-17(23)20/h8-11H,3-7H2,1-2H3,(H2,20,22)
InChIKeyMTRZJTDLDIAUHF-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.89
Rot. Bonds8

About 1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine

1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168628950) has the molecular formula C17H22F2N4O and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
PubChem CID168628950
Molecular FormulaC17H22F2N4O
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
SMILESCCCCCCOc1cc(C=Nn2cc(C)nc2N)cc(F)c1F
InChIInChI=1S/C17H22F2N4O/c1-3-4-5-6-7-24-15-9-13(8-14(18)16(15)19)10-21-23-11-12(2)22-17(23)20/h8-11H,3-7H2,1-2H3,(H2,20,22)
InChIKeyMTRZJTDLDIAUHF-UHFFFAOYSA-N
XLogP3.89
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628935
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628931
4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628888
1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630451
(3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine
CID 168529285
1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628979
1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630643
1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628889
1-[[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168629163
1-[(6-ethoxy-2,3-difluorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630075
1-[[4-(difluoromethoxy)-3-fluorophenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168628835

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine (CID 168628950) is 1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is CCCCCCOc1cc(C=Nn2cc(C)nc2N)cc(F)c1F.
What is the InChIKey of 1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is MTRZJTDLDIAUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O/c1-3-4-5-6-7-24-15-9-13(8-14(18)16(15)19)10-21-23-11-12(2)22-17(23)20/h8-11H,3-7H2,1-2H3,(H2,20,22).
What are the key properties of 1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine?
1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 336.39 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168628950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).