1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine

C18H26N6O — CID 111071565

IUPAC1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
SMILESN/C(=N\Cc1ncc(-c2ccccc2)[nH]1)NCCCN1CCOCC1
InChIInChI=1S/C18H26N6O/c19-18(20-7-4-8-24-9-11-25-12-10-24)22-14-17-21-13-16(23-17)15-5-2-1-3-6-15/h1-3,5-6,13H,4,7-12,14H2,(H,21,23)(H3,19,20,22)
InChIKeyIHPKRJCSCUQAOS-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.20
Rot. Bonds7

About 1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine

1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine (PubChem CID 111071565) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
PubChem CID111071565
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
SMILESN/C(=N\Cc1ncc(-c2ccccc2)[nH]1)NCCCN1CCOCC1
InChIInChI=1S/C18H26N6O/c19-18(20-7-4-8-24-9-11-25-12-10-24)22-14-17-21-13-16(23-17)15-5-2-1-3-6-15/h1-3,5-6,13H,4,7-12,14H2,(H,21,23)(H3,19,20,22)
InChIKeyIHPKRJCSCUQAOS-UHFFFAOYSA-N
XLogP1.20
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.20
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-(3-morpholin-4-ylpropyl)-2-[(2-pyrazol-1-ylphenyl)methyl]guanidine
CID 111074475
1-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111070163
2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111799936
2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111033514
2-[[2-(2-methylpropoxy)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111074543
2-[(5-methylthiophen-2-yl)methyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111046021
2-[2-(N-methylanilino)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111056428
2-[2-(diethylamino)-2-phenylethyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111029708
1-(3-morpholin-4-ylpropyl)-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050553
1-(3-morpholin-4-ylpropyl)-2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111069355
2-(3-benzylsulfonylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111065206
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111039747

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine (CID 111071565) is 1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine is N/C(=N\Cc1ncc(-c2ccccc2)[nH]1)NCCCN1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
The InChIKey is IHPKRJCSCUQAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c19-18(20-7-4-8-24-9-11-25-12-10-24)22-14-17-21-13-16(23-17)15-5-2-1-3-6-15/h1-3,5-6,13H,4,7-12,14H2,(H,21,23)(H3,19,20,22).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine has a molecular weight of 342.45 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine is sourced from PubChem (CID 111071565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).