4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine

C20H30N4O — CID 168628762

IUPAC4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
SMILESCCCCCCCCCOc1ccc(C=Nn2cc(C)nc2N)cc1
InChIInChI=1S/C20H30N4O/c1-3-4-5-6-7-8-9-14-25-19-12-10-18(11-13-19)15-22-24-16-17(2)23-20(24)21/h10-13,15-16H,3-9,14H2,1-2H3,(H2,21,23)
InChIKeyXTSYLMXVRCBFRZ-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.79
Rot. Bonds11

About 4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine

4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine (PubChem CID 168628762) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
PubChem CID168628762
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
SMILESCCCCCCCCCOc1ccc(C=Nn2cc(C)nc2N)cc1
InChIInChI=1S/C20H30N4O/c1-3-4-5-6-7-8-9-14-25-19-12-10-18(11-13-19)15-22-24-16-17(2)23-20(24)21/h10-13,15-16H,3-9,14H2,1-2H3,(H2,21,23)
InChIKeyXTSYLMXVRCBFRZ-UHFFFAOYSA-N
XLogP4.79
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.79
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
1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628931
4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628888
[4-[(2-amino-4-methylimidazol-1-yl)iminomethyl]phenyl] propanoate
CID 168630051
4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629130
1-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630176
1-[(3,5-diethoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630643
1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630451
1-[(6-methoxynaphthalen-2-yl)methylideneamino]-4-methylimidazol-2-amine
CID 168628492
(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
(Z)-1-(4-pentoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 112537966
6-amino-1-[(Z)-(4-hexoxyphenyl)methylideneamino]-4-methylpyridin-2-one
CID 9024322

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine (CID 168628762) is 4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine is CCCCCCCCCOc1ccc(C=Nn2cc(C)nc2N)cc1.
What is the InChIKey of 4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine?
The InChIKey is XTSYLMXVRCBFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-3-4-5-6-7-8-9-14-25-19-12-10-18(11-13-19)15-22-24-16-17(2)23-20(24)21/h10-13,15-16H,3-9,14H2,1-2H3,(H2,21,23).
What are the key properties of 4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine?
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine has a molecular weight of 342.49 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168628762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).