1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine

C14H18N6 — CID 119114542

IUPAC1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine
SMILESC/N=C(/NCc1cccnc1-n1ccnc1)NC1CC1
InChIInChI=1S/C14H18N6/c1-15-14(19-12-4-5-12)18-9-11-3-2-6-17-13(11)20-8-7-16-10-20/h2-3,6-8,10,12H,4-5,9H2,1H3,(H2,15,18,19)
InChIKeyZGJBBMVWTHMNGC-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.09
Rot. Bonds4

About 1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine

1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine (PubChem CID 119114542) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine
PubChem CID119114542
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine
SMILESC/N=C(/NCc1cccnc1-n1ccnc1)NC1CC1
InChIInChI=1S/C14H18N6/c1-15-14(19-12-4-5-12)18-9-11-3-2-6-17-13(11)20-8-7-16-10-20/h2-3,6-8,10,12H,4-5,9H2,1H3,(H2,15,18,19)
InChIKeyZGJBBMVWTHMNGC-UHFFFAOYSA-N
XLogP1.09
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.09
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

1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
CID 99844699
1-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110959252
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114539
1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 119118530
1-[3-[[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
CID 110992163
1-cyclopentyl-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110992460
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142670
1-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111256995
1-cyclohexyl-3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110957039
1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 166230289
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142830
(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine?
The IUPAC name of 1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine (CID 119114542) is 1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine is C/N=C(/NCc1cccnc1-n1ccnc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine?
The InChIKey is ZGJBBMVWTHMNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-15-14(19-12-4-5-12)18-9-11-3-2-6-17-13(11)20-8-7-16-10-20/h2-3,6-8,10,12H,4-5,9H2,1H3,(H2,15,18,19).
What are the key properties of 1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine?
1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine has a molecular weight of 270.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine is sourced from PubChem (CID 119114542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).