N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline

C19H20N4O — CID 169383035

IUPACN-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1ccc(OCCCn2ccnc2)cc1
InChIInChI=1S/C19H20N4O/c1-2-5-18(6-3-1)22-21-15-17-7-9-19(10-8-17)24-14-4-12-23-13-11-20-16-23/h1-3,5-11,13,15-16,22H,4,12,14H2
InChIKeyUSKFBXLDLBQLEJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.80
Rot. Bonds8

About N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline

N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline (PubChem CID 169383035) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
PubChem CID169383035
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
SMILESC(=NNc1ccccc1)c1ccc(OCCCn2ccnc2)cc1
InChIInChI=1S/C19H20N4O/c1-2-5-18(6-3-1)22-21-15-17-7-9-19(10-8-17)24-14-4-12-23-13-11-20-16-23/h1-3,5-11,13,15-16,22H,4,12,14H2
InChIKeyUSKFBXLDLBQLEJ-UHFFFAOYSA-N
XLogP3.80
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.80
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole
CID 67859856
[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]thiourea
CID 168535452
N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
CID 169383026
N-[(E)-(4-butoxyphenyl)methylideneamino]aniline
CID 110337210
N-[(E)-(4-propoxyphenyl)methylideneamino]aniline
CID 110337849
N-[[4-(4-morpholin-4-ylbutoxy)phenyl]methylideneamino]aniline
CID 169383010
N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]aniline
CID 169383822
1-[6-[4-(2-phenylethynyl)phenoxy]hexyl]imidazole
CID 101469157
N-(benzylideneamino)-4-nonoxyaniline
CID 69412434
N-[[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methylideneamino]aniline
CID 169382566
N-(2-imidazol-1-ylethoxy)aniline
CID 91383596
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline (CID 169383035) is N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline is C(=NNc1ccccc1)c1ccc(OCCCn2ccnc2)cc1.
What is the InChIKey of N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline?
The InChIKey is USKFBXLDLBQLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-5-18(6-3-1)22-21-15-17-7-9-19(10-8-17)24-14-4-12-23-13-11-20-16-23/h1-3,5-11,13,15-16,22H,4,12,14H2.
What are the key properties of N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline?
N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline has a molecular weight of 320.40 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169383035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).