1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine

C23H29N5O2 — CID 111682502

IUPAC1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1-n1ccnc1)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C23H29N5O2/c1-4-25-23(26-15-18(2)30-22-12-8-7-11-21(22)29-3)27-16-19-9-5-6-10-20(19)28-14-13-24-17-28/h5-14,17-18H,4,15-16H2,1-3H3,(H2,25,26,27)
InChIKeyGNGZLDUTJGMKME-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.40
Rot. Bonds9

About 1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine

1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine (PubChem CID 111682502) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine
PubChem CID111682502
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1-n1ccnc1)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C23H29N5O2/c1-4-25-23(26-15-18(2)30-22-12-8-7-11-21(22)29-3)27-16-19-9-5-6-10-20(19)28-14-13-24-17-28/h5-14,17-18H,4,15-16H2,1-3H3,(H2,25,26,27)
InChIKeyGNGZLDUTJGMKME-UHFFFAOYSA-N
XLogP3.40
TPSA72.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111683323
1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]guanidine;hydroiodide
CID 111410698
1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111606064
1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-(3-methoxypropyl)guanidine;hydroiodide
CID 110976640
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
CID 111683345
1-tert-butyl-3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110967209
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111683016
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111683015
N-[4-[[[ethylamino-[2-(2-methoxyphenoxy)propylamino]methylidene]amino]methyl]phenyl]-2-methylpropanamide
CID 111682702
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111503525
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111683387
2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111074361

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine?
The IUPAC name of 1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine (CID 111682502) is 1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine is CCN/C(=N\Cc1ccccc1-n1ccnc1)NCC(C)Oc1ccccc1OC.
What is the InChIKey of 1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine?
The InChIKey is GNGZLDUTJGMKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-4-25-23(26-15-18(2)30-22-12-8-7-11-21(22)29-3)27-16-19-9-5-6-10-20(19)28-14-13-24-17-28/h5-14,17-18H,4,15-16H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine?
1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine has a molecular weight of 407.52 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]-3-[2-(2-methoxyphenoxy)propyl]guanidine is sourced from PubChem (CID 111682502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).