2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide

C14H21IN6 — CID 111052804

IUPAC2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccc(-n2ccnc2C)nc1.I
InChIInChI=1S/C14H20N6.HI/c1-3-6-17-14(15)19-10-12-4-5-13(18-9-12)20-8-7-16-11(20)2;/h4-5,7-9H,3,6,10H2,1-2H3,(H3,15,17,19);1H
InChIKeyZDPSPAJFAXXGQJ-UHFFFAOYSA-N
MW400.27 g/mol
LogP2.01
Rot. Bonds5

About 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide

2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide (PubChem CID 111052804) has the molecular formula C14H21IN6 and a molecular weight of 400.27 g/mol. Its IUPAC name is 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
PubChem CID111052804
Molecular FormulaC14H21IN6
Molecular Weight400.27 g/mol
Exact Mass400.09
IUPAC Name2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/Cc1ccc(-n2ccnc2C)nc1.I
InChIInChI=1S/C14H20N6.HI/c1-3-6-17-14(15)19-10-12-4-5-13(18-9-12)20-8-7-16-11(20)2;/h4-5,7-9H,3,6,10H2,1-2H3,(H3,15,17,19);1H
InChIKeyZDPSPAJFAXXGQJ-UHFFFAOYSA-N
XLogP2.01
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 52.01
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 119118549
2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine
CID 111052827
2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111053202
1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111052869
1-ethyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471642
1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111700276
2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111052855
2-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111049111
1-cyclopropyl-3-ethyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 110987854
N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111052850
2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-1-propylguanidine
CID 111048732
1-ethyl-3-[(4-methoxyphenyl)methyl]-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111183621

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide?
The IUPAC name of 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide (CID 111052804) is 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide is CCCN/C(N)=N/Cc1ccc(-n2ccnc2C)nc1.I.
What is the InChIKey of 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide?
The InChIKey is ZDPSPAJFAXXGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6.HI/c1-3-6-17-14(15)19-10-12-4-5-13(18-9-12)20-8-7-16-11(20)2;/h4-5,7-9H,3,6,10H2,1-2H3,(H3,15,17,19);1H.
What are the key properties of 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide?
2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide has a molecular weight of 400.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide is sourced from PubChem (CID 111052804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).