2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine

C10H19N5O — CID 111030816

IUPAC2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(N)=N/CCn1ccnc1
InChIInChI=1S/C10H19N5O/c1-9(7-16-2)14-10(11)13-4-6-15-5-3-12-8-15/h3,5,8-9H,4,6-7H2,1-2H3,(H3,11,13,14)
InChIKeyKPNWWHIPTOOOLE-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.18
Rot. Bonds6

About 2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine

2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine (PubChem CID 111030816) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine
PubChem CID111030816
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine
SMILESCOCC(C)N/C(N)=N/CCn1ccnc1
InChIInChI=1S/C10H19N5O/c1-9(7-16-2)14-10(11)13-4-6-15-5-3-12-8-15/h3,5,8-9H,4,6-7H2,1-2H3,(H3,11,13,14)
InChIKeyKPNWWHIPTOOOLE-UHFFFAOYSA-N
XLogP-0.18
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine
CID 110913907
1-(3-imidazol-1-ylpropyl)-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 40519952
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine
CID 62362892
1-[(2S)-1-methoxypropan-2-yl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 129374903
1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110945365
1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol
CID 63930273
1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 119117343
1-(2-methoxyethyl)imidazole
CID 14366840
2-[2-[ethyl(propyl)amino]ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111600579
1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912123
1-(1-methoxypropan-2-yl)-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111769816

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine?
The IUPAC name of 2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine (CID 111030816) is 2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine.
What is the SMILES notation for 2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine?
The canonical SMILES for 2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine is COCC(C)N/C(N)=N/CCn1ccnc1.
What is the InChIKey of 2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine?
The InChIKey is KPNWWHIPTOOOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-9(7-16-2)14-10(11)13-4-6-15-5-3-12-8-15/h3,5,8-9H,4,6-7H2,1-2H3,(H3,11,13,14).
What are the key properties of 2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine?
2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine has a molecular weight of 225.30 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine is sourced from PubChem (CID 111030816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).