2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine

C12H15N5O — CID 19811578

IUPAC2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine
SMILESNC(N)=Nc1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C12H15N5O/c13-12(14)16-10-2-1-3-11(8-10)18-7-6-17-5-4-15-9-17/h1-5,8-9H,6-7H2,(H4,13,14,16)
InChIKeyOGNLKMYSFKXOFX-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.87
Rot. Bonds5

About 2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine

2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine (PubChem CID 19811578) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine.

Molecular Properties

Compound Name2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine
PubChem CID19811578
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine
SMILESNC(N)=Nc1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C12H15N5O/c13-12(14)16-10-2-1-3-11(8-10)18-7-6-17-5-4-15-9-17/h1-5,8-9H,6-7H2,(H4,13,14,16)
InChIKeyOGNLKMYSFKXOFX-UHFFFAOYSA-N
XLogP0.87
TPSA91.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749
1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine
CID 60883624
1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 60882800
(1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 114091266
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methoxybenzamide
CID 47045466
1-[4-(3-tert-butylphenoxy)butyl]imidazole
CID 2996393
ethyl 3-(3-imidazol-1-ylpropoxy)benzoate
CID 139771562
3-imidazol-1-ylpropyl 2-(3-aminophenoxy)acetate
CID 61493245
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine?
The IUPAC name of 2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine (CID 19811578) is 2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine.
What is the SMILES notation for 2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine?
The canonical SMILES for 2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine is NC(N)=Nc1cccc(OCCn2ccnc2)c1.
What is the InChIKey of 2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine?
The InChIKey is OGNLKMYSFKXOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-12(14)16-10-2-1-3-11(8-10)18-7-6-17-5-4-15-9-17/h1-5,8-9H,6-7H2,(H4,13,14,16).
What are the key properties of 2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine?
2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine has a molecular weight of 245.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine is sourced from PubChem (CID 19811578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).