2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide

C15H21IN6 — CID 119116299

IUPAC2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCc1cccnc1-n1ccnc1C.I
InChIInChI=1S/C15H20N6.HI/c1-4-7-19-15(16-3)20-11-13-6-5-8-18-14(13)21-10-9-17-12(21)2;/h4-6,8-10H,1,7,11H2,2-3H3,(H2,16,19,20);1H
InChIKeyGYRQLEYLOMOIOP-UHFFFAOYSA-N
MW412.28 g/mol
LogP2.04
Rot. Bonds5

About 2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide

2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide (PubChem CID 119116299) has the molecular formula C15H21IN6 and a molecular weight of 412.28 g/mol. Its IUPAC name is 2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide
PubChem CID119116299
Molecular FormulaC15H21IN6
Molecular Weight412.28 g/mol
Exact Mass412.09
IUPAC Name2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCc1cccnc1-n1ccnc1C.I
InChIInChI=1S/C15H20N6.HI/c1-4-7-19-15(16-3)20-11-13-6-5-8-18-14(13)21-10-9-17-12(21)2;/h4-6,8-10H,1,7,11H2,2-3H3,(H2,16,19,20);1H
InChIKeyGYRQLEYLOMOIOP-UHFFFAOYSA-N
XLogP2.04
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 52.04
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-prop-2-enylguanidine
CID 110979717
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methyl-3-prop-2-enylguanidine
CID 110980213
1-[[2-(methoxymethyl)phenyl]methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110979997
2-methyl-1-prop-2-enyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110981048
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 60565634
1-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110979870
2-methyl-1-[[2-(phenylmethoxymethyl)phenyl]methyl]-3-prop-2-enylguanidine
CID 110979986
1-[(2-methoxyphenyl)methyl]-2-methyl-3-prop-2-enylguanidine
CID 110981483
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110982336
1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea
CID 56818885
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
CID 99844699
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981042

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide (CID 119116299) is 2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NCc1cccnc1-n1ccnc1C.I.
What is the InChIKey of 2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is GYRQLEYLOMOIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6.HI/c1-4-7-19-15(16-3)20-11-13-6-5-8-18-14(13)21-10-9-17-12(21)2;/h4-6,8-10H,1,7,11H2,2-3H3,(H2,16,19,20);1H.
What are the key properties of 2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide?
2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 412.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide is sourced from PubChem (CID 119116299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).