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

C16H23N5O — CID 111817888

IUPAC1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine
SMILESCOc1ccccc1N/C(N)=N/CCCCn1ccnc1C
InChIInChI=1S/C16H23N5O/c1-13-18-10-12-21(13)11-6-5-9-19-16(17)20-14-7-3-4-8-15(14)22-2/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H3,17,19,20)
InChIKeyWIUVRQVTACMGBK-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.41
Rot. Bonds7

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

1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine (PubChem CID 111817888) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine
PubChem CID111817888
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine
SMILESCOc1ccccc1N/C(N)=N/CCCCn1ccnc1C
InChIInChI=1S/C16H23N5O/c1-13-18-10-12-21(13)11-6-5-9-19-16(17)20-14-7-3-4-8-15(14)22-2/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H3,17,19,20)
InChIKeyWIUVRQVTACMGBK-UHFFFAOYSA-N
XLogP2.41
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
1-(2-methoxyphenyl)-2-propylguanidine
CID 62381067
1-(4-methoxyphenyl)-2-[2-(2-methylimidazol-1-yl)ethyl]guanidine
CID 119120889
2-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111023855
2-[4-(4-benzylpiperazin-1-yl)butyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111066770
1-(2-methoxyphenyl)-2-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine
CID 111062287
2-[3-(4-benzylpiperazin-1-yl)propyl]-1-(2-methoxyphenyl)guanidine
CID 111059105
tert-butyl 7-[[amino-(2-methoxyanilino)methylidene]amino]heptanoate
CID 111811346
2-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-1-(2-methoxyphenyl)guanidine
CID 111822220
1-(2-methoxyphenyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 111812274
2-[2-(2-methylimidazol-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 119142370
2-[3-(4-hydroxyphenyl)propyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816087

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine?
The IUPAC name of 1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine (CID 111817888) is 1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine is COc1ccccc1N/C(N)=N/CCCCn1ccnc1C.
What is the InChIKey of 1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine?
The InChIKey is WIUVRQVTACMGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13-18-10-12-21(13)11-6-5-9-19-16(17)20-14-7-3-4-8-15(14)22-2/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H3,17,19,20).
What are the key properties of 1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine?
1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine has a molecular weight of 301.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-[4-(2-methylimidazol-1-yl)butyl]guanidine is sourced from PubChem (CID 111817888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).