1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine

C19H22N6 — CID 111790354

IUPAC1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccccn1)NCc1nccn1Cc1ccccc1
InChIInChI=1S/C19H22N6/c1-20-19(23-13-17-9-5-6-10-21-17)24-14-18-22-11-12-25(18)15-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H2,20,23,24)
InChIKeyFAXVFFIUGNJCGZ-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.19
Rot. Bonds6

About 1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine

1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 111790354) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
PubChem CID111790354
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccccn1)NCc1nccn1Cc1ccccc1
InChIInChI=1S/C19H22N6/c1-20-19(23-13-17-9-5-6-10-21-17)24-14-18-22-11-12-25(18)15-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H2,20,23,24)
InChIKeyFAXVFFIUGNJCGZ-UHFFFAOYSA-N
XLogP2.19
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.19
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-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111797203
1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine
CID 111791378
1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111795784
1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111791408
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine
CID 111228267
1-[(1-benzylimidazol-2-yl)methyl]-3-[3-(4-fluorophenyl)sulfanylpropyl]-2-methylguanidine
CID 111795487
N-[(1-benzylimidazol-2-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111465680
1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 116510700
1-[(1-benzylimidazol-2-yl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylguanidine;hydroiodide
CID 111795118
2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 119140092
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111376625
1-[2-(1-benzylimidazol-2-yl)ethyl]-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110942587

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine (CID 111790354) is 1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine is C/N=C(\NCc1ccccn1)NCc1nccn1Cc1ccccc1.
What is the InChIKey of 1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is FAXVFFIUGNJCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-20-19(23-13-17-9-5-6-10-21-17)24-14-18-22-11-12-25(18)15-16-7-3-2-4-8-16/h2-12H,13-15H2,1H3,(H2,20,23,24).
What are the key properties of 1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 334.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 111790354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).