1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine

C20H20Cl2N4O2 — CID 168630181

IUPAC1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCCOc1cc(C=Nn2cc(C)nc2N)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C20H20Cl2N4O2/c1-3-27-19-9-14(10-24-26-11-13(2)25-20(26)23)7-8-18(19)28-12-15-16(21)5-4-6-17(15)22/h4-11H,3,12H2,1-2H3,(H2,23,25)
InChIKeySYIYHPXRZPDLAD-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.94
Rot. Bonds7

About 1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168630181) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is 1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
PubChem CID168630181
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine
SMILESCCOc1cc(C=Nn2cc(C)nc2N)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C20H20Cl2N4O2/c1-3-27-19-9-14(10-24-26-11-13(2)25-20(26)23)7-8-18(19)28-12-15-16(21)5-4-6-17(15)22/h4-11H,3,12H2,1-2H3,(H2,23,25)
InChIKeySYIYHPXRZPDLAD-UHFFFAOYSA-N
XLogP4.94
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630747
1-[(4-chloro-3-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628669
1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630138
1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628931
3-[[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]methyl]-4-methoxybenzaldehyde
CID 168630555
methyl 2-[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetate
CID 168629904
(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxyphenyl]-N-(4-methylpiperazin-1-yl)methanimine
CID 42995005
2-[(2E)-2-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136733369
1-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630176
[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]urea
CID 6872804
1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630629
1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630643

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
The IUPAC name of 1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168630181) is 1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
The canonical SMILES for 1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine is CCOc1cc(C=Nn2cc(C)nc2N)ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
The InChIKey is SYIYHPXRZPDLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c1-3-27-19-9-14(10-24-26-11-13(2)25-20(26)23)7-8-18(19)28-12-15-16(21)5-4-6-17(15)22/h4-11H,3,12H2,1-2H3,(H2,23,25).
What are the key properties of 1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine?
1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 419.31 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168630181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).