N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline

C19H19ClN4O — CID 169383026

IUPACN-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
SMILESClc1ccc(OCCCn2ccnc2)c(C=NNc2ccccc2)c1
InChIInChI=1S/C19H19ClN4O/c20-17-7-8-19(25-12-4-10-24-11-9-21-15-24)16(13-17)14-22-23-18-5-2-1-3-6-18/h1-3,5-9,11,13-15,23H,4,10,12H2
InChIKeyAUBRVGBKILVPKH-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.45
Rot. Bonds8

About N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline

N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline (PubChem CID 169383026) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
PubChem CID169383026
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
SMILESClc1ccc(OCCCn2ccnc2)c(C=NNc2ccccc2)c1
InChIInChI=1S/C19H19ClN4O/c20-17-7-8-19(25-12-4-10-24-11-9-21-15-24)16(13-17)14-22-23-18-5-2-1-3-6-18/h1-3,5-9,11,13-15,23H,4,10,12H2
InChIKeyAUBRVGBKILVPKH-UHFFFAOYSA-N
XLogP4.45
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.45
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

N-[[4-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
CID 169383035
4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 2842888
N-[[2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618453
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole
CID 2994656
2-(3-imidazol-1-ylpropoxy)benzaldehyde;hydrochloride
CID 75531575
N-(2-imidazol-1-ylethoxy)aniline
CID 91383596
2,10-dichloro-6-(3-imidazol-1-ylpropoxy)-5,7-dihydroindolo[2,3-b]carbazole
CID 59239007
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole
CID 3012220
2-[2-[[2-(3-imidazol-1-ylpropoxy)phenyl]methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168572982
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155455

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline (CID 169383026) is N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline is Clc1ccc(OCCCn2ccnc2)c(C=NNc2ccccc2)c1.
What is the InChIKey of N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline?
The InChIKey is AUBRVGBKILVPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-17-7-8-19(25-12-4-10-24-11-9-21-15-24)16(13-17)14-22-23-18-5-2-1-3-6-18/h1-3,5-9,11,13-15,23H,4,10,12H2.
What are the key properties of N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline?
N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline has a molecular weight of 354.84 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169383026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).