2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine

C18H20N6 — CID 111052827

IUPAC2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/Cc2ccc(-n3ccnc3C)nc2)cc1
InChIInChI=1S/C18H20N6/c1-13-3-6-16(7-4-13)23-18(19)22-12-15-5-8-17(21-11-15)24-10-9-20-14(24)2/h3-11H,12H2,1-2H3,(H3,19,22,23)
InChIKeyYGWHMSQZWZFDFX-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.81
Rot. Bonds4

About 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine

2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine (PubChem CID 111052827) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine
PubChem CID111052827
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/Cc2ccc(-n3ccnc3C)nc2)cc1
InChIInChI=1S/C18H20N6/c1-13-3-6-16(7-4-13)23-18(19)22-12-15-5-8-17(21-11-15)24-10-9-20-14(24)2/h3-11H,12H2,1-2H3,(H3,19,22,23)
InChIKeyYGWHMSQZWZFDFX-UHFFFAOYSA-N
XLogP2.81
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.81
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

2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111052855
2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propylguanidine;hydroiodide
CID 111052804
1-cyclopentyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 119118549
1-(1-methoxypropan-2-yl)-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111052869
1-(4-methylphenyl)-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine
CID 111048752
4-methyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide
CID 110919203
N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111052850
1-(4-methylphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023341
1-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111938401
1-cyclopropyl-3-ethyl-2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 110987854
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111049174
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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine (CID 111052827) is 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine is Cc1ccc(N/C(N)=N/Cc2ccc(-n3ccnc3C)nc2)cc1.
What is the InChIKey of 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine?
The InChIKey is YGWHMSQZWZFDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-13-3-6-16(7-4-13)23-18(19)22-12-15-5-8-17(21-11-15)24-10-9-20-14(24)2/h3-11H,12H2,1-2H3,(H3,19,22,23).
What are the key properties of 2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine?
2-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine has a molecular weight of 320.40 g/mol, XLogP of 2.81, 4 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-(4-methylphenyl)guanidine is sourced from PubChem (CID 111052827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).