2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine

C20H25N5O — CID 119141082

IUPAC2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1cn2c(n1)CCCC2)NCc1oc2ccccc2c1C
InChIInChI=1S/C20H25N5O/c1-14-16-7-3-4-8-17(16)26-18(14)12-23-20(21-2)22-11-15-13-25-10-6-5-9-19(25)24-15/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H2,21,22,23)
InChIKeyUIZQKIFPJGCUBL-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.14
Rot. Bonds4

About 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine

2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine (PubChem CID 119141082) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
PubChem CID119141082
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1cn2c(n1)CCCC2)NCc1oc2ccccc2c1C
InChIInChI=1S/C20H25N5O/c1-14-16-7-3-4-8-17(16)26-18(14)12-23-20(21-2)22-11-15-13-25-10-6-5-9-19(25)24-15/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H2,21,22,23)
InChIKeyUIZQKIFPJGCUBL-UHFFFAOYSA-N
XLogP3.14
TPSA67.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.14
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-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 119141538
1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine;hydroiodide
CID 119141537
2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111603060
2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111603144
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 119142198
2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(1-phenylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111602622
4-[[[N'-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111602497
1-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine
CID 111603857
N,N-dimethyl-3-[[N'-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]carbamimidoyl]amino]propanamide
CID 111603219
N,N-dimethyl-4-[[[N'-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111603319
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-3-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine;hydroiodide
CID 111603454
1-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine;hydroiodide
CID 111603496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine?
The IUPAC name of 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine (CID 119141082) is 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine is C/N=C(\NCc1cn2c(n1)CCCC2)NCc1oc2ccccc2c1C.
What is the InChIKey of 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine?
The InChIKey is UIZQKIFPJGCUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14-16-7-3-4-8-17(16)26-18(14)12-23-20(21-2)22-11-15-13-25-10-6-5-9-19(25)24-15/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine?
2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine has a molecular weight of 351.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 119141082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).