1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine

C14H19N5O — CID 119120889

IUPAC1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine
SMILESCOc1ccc(N/C(N)=N/CCn2ccnc2C)cc1
InChIInChI=1S/C14H19N5O/c1-11-16-7-9-19(11)10-8-17-14(15)18-12-3-5-13(20-2)6-4-12/h3-7,9H,8,10H2,1-2H3,(H3,15,17,18)
InChIKeyLFQBELKJUGZSFM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.63
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine

1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine (PubChem CID 119120889) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine
PubChem CID119120889
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine
SMILESCOc1ccc(N/C(N)=N/CCn2ccnc2C)cc1
InChIInChI=1S/C14H19N5O/c1-11-16-7-9-19(11)10-8-17-14(15)18-12-3-5-13(20-2)6-4-12/h3-7,9H,8,10H2,1-2H3,(H3,15,17,18)
InChIKeyLFQBELKJUGZSFM-UHFFFAOYSA-N
XLogP1.63
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.63
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

2-[4-(2-methylimidazol-1-yl)butyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111817871
N-(4-methoxyphenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 55028374
1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine
CID 111817888
1-(4-methoxyphenyl)-2-(2-methylsulfanylethyl)guanidine
CID 111030340
2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111057155
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
1-(4-methoxyphenyl)-2-pent-3-enylguanidine
CID 111813726
2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111052924
2-[2-(2-methylimidazol-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142370
2-(2-ethylsulfonylethyl)-1-(4-methoxyphenyl)guanidine
CID 111100364
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
N-[4-(2-methoxyphenoxy)phenyl]-3-(2-methylimidazol-1-yl)propanamide
CID 131931945

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine?
The IUPAC name of 1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine (CID 119120889) is 1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine is COc1ccc(N/C(N)=N/CCn2ccnc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine?
The InChIKey is LFQBELKJUGZSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-16-7-9-19(11)10-8-17-14(15)18-12-3-5-13(20-2)6-4-12/h3-7,9H,8,10H2,1-2H3,(H3,15,17,18).
What are the key properties of 1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine?
1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine has a molecular weight of 273.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine is sourced from PubChem (CID 119120889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).