1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine

C16H22N6 — CID 119118549

IUPAC1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
SMILESCc1nccn1-c1ccc(C/N=C(\N)NC2CCCC2)cn1
InChIInChI=1S/C16H22N6/c1-12-18-8-9-22(12)15-7-6-13(10-19-15)11-20-16(17)21-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H3,17,20,21)
InChIKeyKAXPESQCEJXYSW-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.92
Rot. Bonds4

About 1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine

1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine (PubChem CID 119118549) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
PubChem CID119118549
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
SMILESCc1nccn1-c1ccc(C/N=C(\N)NC2CCCC2)cn1
InChIInChI=1S/C16H22N6/c1-12-18-8-9-22(12)15-7-6-13(10-19-15)11-20-16(17)21-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H3,17,20,21)
InChIKeyKAXPESQCEJXYSW-UHFFFAOYSA-N
XLogP1.92
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.92
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-cyclohexyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111048820
1-cyclopropyl-3-ethyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 110987854
2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111052804
2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine
CID 111052827
4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide
CID 110919203
1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111052869
N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442373
1-cyclohexyl-2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 111049108
N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442372
2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111052855
N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111052850
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine (CID 119118549) is 1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine is Cc1nccn1-c1ccc(C/N=C(\N)NC2CCCC2)cn1.
What is the InChIKey of 1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine?
The InChIKey is KAXPESQCEJXYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-12-18-8-9-22(12)15-7-6-13(10-19-15)11-20-16(17)21-14-4-2-3-5-14/h6-10,14H,2-5,11H2,1H3,(H3,17,20,21).
What are the key properties of 1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine?
1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine has a molecular weight of 298.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine is sourced from PubChem (CID 119118549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).