1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine

C15H19N5 — CID 110030414

IUPAC1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine
SMILESCN(/C(N)=N/Cc1ccccc1-n1ccnc1)C1CC1
InChIInChI=1S/C15H19N5/c1-19(13-6-7-13)15(16)18-10-12-4-2-3-5-14(12)20-9-8-17-11-20/h2-5,8-9,11,13H,6-7,10H2,1H3,(H2,16,18)
InChIKeyVMLXUPKQGVDEPC-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.78
Rot. Bonds4

About 1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine

1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine (PubChem CID 110030414) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine
PubChem CID110030414
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine
SMILESCN(/C(N)=N/Cc1ccccc1-n1ccnc1)C1CC1
InChIInChI=1S/C15H19N5/c1-19(13-6-7-13)15(16)18-10-12-4-2-3-5-14(12)20-9-8-17-11-20/h2-5,8-9,11,13H,6-7,10H2,1H3,(H2,16,18)
InChIKeyVMLXUPKQGVDEPC-UHFFFAOYSA-N
XLogP1.78
TPSA59.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-imidazol-1-ylphenyl)methyl]-1-phenylguanidine
CID 110918260
1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 110029535
1-(2-imidazol-1-ylphenyl)-N,N-dimethylmethanamine
CID 175241925
1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029984
N'-[(2-imidazol-1-ylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119119768
1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110030751
2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111074361
1-cyclopropyl-1-methyl-2-(pyridin-3-ylmethyl)guanidine
CID 110029384
tert-butyl 4-[N'-[(2-imidazol-1-ylphenyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111074427
1-cyclopropyl-1-methyl-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110029979
2-[(2-imidazol-1-ylphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111074405
1-cyclopropyl-1-methyl-2-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110030335

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine (CID 110030414) is 1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine is CN(/C(N)=N/Cc1ccccc1-n1ccnc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine?
The InChIKey is VMLXUPKQGVDEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-19(13-6-7-13)15(16)18-10-12-4-2-3-5-14(12)20-9-8-17-11-20/h2-5,8-9,11,13H,6-7,10H2,1H3,(H2,16,18).
What are the key properties of 1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine?
1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine has a molecular weight of 269.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine is sourced from PubChem (CID 110030414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).