N-(2-imidazol-1-ylethoxy)aniline

C11H13N3O — CID 91383596

IUPACN-(2-imidazol-1-ylethoxy)aniline
SMILESc1ccc(NOCCn2ccnc2)cc1
InChIInChI=1S/C11H13N3O/c1-2-4-11(5-3-1)13-15-9-8-14-7-6-12-10-14/h1-7,10,13H,8-9H2
InChIKeyFKUSHPWNWQGYNS-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.93
Rot. Bonds5

About N-(2-imidazol-1-ylethoxy)aniline

N-(2-imidazol-1-ylethoxy)aniline (PubChem CID 91383596) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethoxy)aniline.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethoxy)aniline
PubChem CID91383596
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-(2-imidazol-1-ylethoxy)aniline
SMILESc1ccc(NOCCn2ccnc2)cc1
InChIInChI=1S/C11H13N3O/c1-2-4-11(5-3-1)13-15-9-8-14-7-6-12-10-14/h1-7,10,13H,8-9H2
InChIKeyFKUSHPWNWQGYNS-UHFFFAOYSA-N
XLogP1.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride
CID 75531590
1-(2-imidazol-1-ylethyl)-3-phenylthiourea
CID 115570770
1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
CID 2995500
1-[4-(2-phenylphenoxy)butyl]imidazole
CID 4998739
1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole
CID 67859856
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-(2-methoxyethyl)imidazole
CID 14366840
N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
CID 169383026
N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60882874
1-[6-[4-(2-phenylethynyl)phenoxy]hexyl]imidazole
CID 101469157

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethoxy)aniline?
The IUPAC name of N-(2-imidazol-1-ylethoxy)aniline (CID 91383596) is N-(2-imidazol-1-ylethoxy)aniline.
What is the SMILES notation for N-(2-imidazol-1-ylethoxy)aniline?
The canonical SMILES for N-(2-imidazol-1-ylethoxy)aniline is c1ccc(NOCCn2ccnc2)cc1.
What is the InChIKey of N-(2-imidazol-1-ylethoxy)aniline?
The InChIKey is FKUSHPWNWQGYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-4-11(5-3-1)13-15-9-8-14-7-6-12-10-14/h1-7,10,13H,8-9H2.
What are the key properties of N-(2-imidazol-1-ylethoxy)aniline?
N-(2-imidazol-1-ylethoxy)aniline has a molecular weight of 203.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethoxy)aniline is sourced from PubChem (CID 91383596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).