1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine

C22H27N5O — CID 111418659

IUPAC1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ncc(-c2ccccc2)[nH]1)NCCCOc1ccccc1
InChIInChI=1S/C22H27N5O/c1-2-23-22(24-14-9-15-28-19-12-7-4-8-13-19)26-17-21-25-16-20(27-21)18-10-5-3-6-11-18/h3-8,10-13,16H,2,9,14-15,17H2,1H3,(H,25,27)(H2,23,24,26)
InChIKeyMUUVRVOYLCDJBQ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.60
Rot. Bonds9

About 1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine

1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine (PubChem CID 111418659) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
PubChem CID111418659
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ncc(-c2ccccc2)[nH]1)NCCCOc1ccccc1
InChIInChI=1S/C22H27N5O/c1-2-23-22(24-14-9-15-28-19-12-7-4-8-13-19)26-17-21-25-16-20(27-21)18-10-5-3-6-11-18/h3-8,10-13,16H,2,9,14-15,17H2,1H3,(H,25,27)(H2,23,24,26)
InChIKeyMUUVRVOYLCDJBQ-UHFFFAOYSA-N
XLogP3.60
TPSA74.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-ethyl-3-(3-methoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 110976421
tert-butyl N-[3-[[N-ethyl-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]carbamimidoyl]amino]propyl]carbamate
CID 111886899
1-ethyl-3-[2-(3-methylbutoxy)ethyl]-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 111970698
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111248428
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 111237171
N-[2-[[N-ethyl-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927710
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111389549
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-(3-phenoxypropyl)guanidine
CID 111417587
1-ethyl-3-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 109494218
1-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 111417594
1-ethyl-2-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111689909
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-ethyl-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine
CID 111702616

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine (CID 111418659) is 1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine is CCN/C(=N\Cc1ncc(-c2ccccc2)[nH]1)NCCCOc1ccccc1.
What is the InChIKey of 1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
The InChIKey is MUUVRVOYLCDJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-2-23-22(24-14-9-15-28-19-12-7-4-8-13-19)26-17-21-25-16-20(27-21)18-10-5-3-6-11-18/h3-8,10-13,16H,2,9,14-15,17H2,1H3,(H,25,27)(H2,23,24,26).
What are the key properties of 1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine?
1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine has a molecular weight of 377.49 g/mol, XLogP of 3.60, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-phenoxypropyl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine is sourced from PubChem (CID 111418659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).