1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine

C20H29N5O — CID 134121668

IUPAC1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine
SMILESCC1CCCCC1N/C(=N\CCCn1ccnc1)Nc1cccc(O)c1
InChIInChI=1S/C20H29N5O/c1-16-6-2-3-9-19(16)24-20(23-17-7-4-8-18(26)14-17)22-10-5-12-25-13-11-21-15-25/h4,7-8,11,13-16,19,26H,2-3,5-6,9-10,12H2,1H3,(H2,22,23,24)
InChIKeyAIDWOAYKJMBGPH-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.62
Rot. Bonds6

About 1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine

1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine (PubChem CID 134121668) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine
PubChem CID134121668
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine
SMILESCC1CCCCC1N/C(=N\CCCn1ccnc1)Nc1cccc(O)c1
InChIInChI=1S/C20H29N5O/c1-16-6-2-3-9-19(16)24-20(23-17-7-4-8-18(26)14-17)22-10-5-12-25-13-11-21-15-25/h4,7-8,11,13-16,19,26H,2-3,5-6,9-10,12H2,1H3,(H2,22,23,24)
InChIKeyAIDWOAYKJMBGPH-UHFFFAOYSA-N
XLogP3.62
TPSA74.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.62
H-Bond Donors ≤ 53
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

1-(5-fluoro-2-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine
CID 134099580
2-(cyclohexylmethyl)-1-(3-hydroxyphenyl)-3-(2-methylcyclohexyl)guanidine
CID 134121687
1-cyano-3-cyclooctyl-2-(3-imidazol-1-ylpropyl)guanidine
CID 24858984
1-(2-hydroxy-5-phenylphenyl)-3-(2-methylcyclohexyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 134111480
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
CID 110991931
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110991930
N-[2-(aminomethyl)cyclohexyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119609806
1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110958682
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-imidazol-1-ylethyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111871774
N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124293
1-(2-hydroxyphenyl)-2-(2-methoxyethyl)-3-(2-methylcyclohexyl)guanidine
CID 134099452

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine?
The IUPAC name of 1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine (CID 134121668) is 1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine?
The canonical SMILES for 1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine is CC1CCCCC1N/C(=N\CCCn1ccnc1)Nc1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine?
The InChIKey is AIDWOAYKJMBGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-16-6-2-3-9-19(16)24-20(23-17-7-4-8-18(26)14-17)22-10-5-12-25-13-11-21-15-25/h4,7-8,11,13-16,19,26H,2-3,5-6,9-10,12H2,1H3,(H2,22,23,24).
What are the key properties of 1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine?
1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine has a molecular weight of 355.49 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-2-(3-imidazol-1-ylpropyl)-3-(2-methylcyclohexyl)guanidine is sourced from PubChem (CID 134121668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).