4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine

C17H24N4O — CID 168628935

IUPAC4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
SMILESCCCCCOc1ccc(C=Nn2cc(C)nc2N)cc1C
InChIInChI=1S/C17H24N4O/c1-4-5-6-9-22-16-8-7-15(10-13(16)2)11-19-21-12-14(3)20-17(21)18/h7-8,10-12H,4-6,9H2,1-3H3,(H2,18,20)
InChIKeyUROUNZRYLAEPHR-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.53
Rot. Bonds7

About 4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine

4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine (PubChem CID 168628935) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
PubChem CID168628935
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine
SMILESCCCCCOc1ccc(C=Nn2cc(C)nc2N)cc1C
InChIInChI=1S/C17H24N4O/c1-4-5-6-9-22-16-8-7-15(10-13(16)2)11-19-21-12-14(3)20-17(21)18/h7-8,10-12H,4-6,9H2,1-3H3,(H2,18,20)
InChIKeyUROUNZRYLAEPHR-UHFFFAOYSA-N
XLogP3.53
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.53
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

1-[(3-chloro-4-pentoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628931
4-methyl-1-[(4-nonoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628762
4-methyl-1-[(2-pentoxyphenyl)methylideneamino]imidazol-2-amine
CID 168628888
1-[(3,4-difluoro-5-hexoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628950
1-[(2-butoxy-5-chlorophenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628979
1-[(3-butylsulfanylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628982
(3-methyl-4-pentoxyphenyl)methylidenehydrazine
CID 168529268
1-[(5-chloro-2-propoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628889
4-methyl-1-[(3-prop-2-enyl-4-prop-2-ynoxyphenyl)methylideneamino]imidazol-2-amine
CID 168629924
1-[(3-bromo-4-methylphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168628600
1-[(3-bromo-4-butoxy-5-methoxyphenyl)methylideneamino]-4-methylimidazol-2-amine
CID 168630451
1-[[3-ethoxy-4-(2-imidazol-1-ylethoxy)phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630138

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine?
The IUPAC name of 4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine (CID 168628935) is 4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine?
The canonical SMILES for 4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine is CCCCCOc1ccc(C=Nn2cc(C)nc2N)cc1C.
What is the InChIKey of 4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine?
The InChIKey is UROUNZRYLAEPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-5-6-9-22-16-8-7-15(10-13(16)2)11-19-21-12-14(3)20-17(21)18/h7-8,10-12H,4-6,9H2,1-3H3,(H2,18,20).
What are the key properties of 4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine?
4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine has a molecular weight of 300.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methyl-4-pentoxyphenyl)methylideneamino]imidazol-2-amine is sourced from PubChem (CID 168628935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).