1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine

C19H25N5O2 — CID 111787077

IUPAC1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
SMILESC/N=C(\NCCCOCc1ccco1)NCc1cn2c(C)cccc2n1
InChIInChI=1S/C19H25N5O2/c1-15-6-3-8-18-23-16(13-24(15)18)12-22-19(20-2)21-9-5-10-25-14-17-7-4-11-26-17/h3-4,6-8,11,13H,5,9-10,12,14H2,1-2H3,(H2,20,21,22)
InChIKeyOTBZNMWFPYJSON-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.51
Rot. Bonds8

About 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine

1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine (PubChem CID 111787077) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
PubChem CID111787077
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
SMILESC/N=C(\NCCCOCc1ccco1)NCc1cn2c(C)cccc2n1
InChIInChI=1S/C19H25N5O2/c1-15-6-3-8-18-23-16(13-24(15)18)12-22-19(20-2)21-9-5-10-25-14-17-7-4-11-26-17/h3-4,6-8,11,13H,5,9-10,12,14H2,1-2H3,(H2,20,21,22)
InChIKeyOTBZNMWFPYJSON-UHFFFAOYSA-N
XLogP2.51
TPSA76.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 111399127
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552721
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine;hydroiodide
CID 111787430
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine
CID 111783819
1-[3-(furan-2-ylmethoxy)propyl]-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 111399917
1-[(4-bromothiophen-2-yl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398573
5-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]furan-2-carboxamide;hydroiodide
CID 111908702
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]guanidine
CID 111399221
1-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398997
methyl 4-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzoate
CID 111162239
1-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111398525
4-[[[N-[3-(furan-2-ylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111398965

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine (CID 111787077) is 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The canonical SMILES for 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine is C/N=C(\NCCCOCc1ccco1)NCc1cn2c(C)cccc2n1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
The InChIKey is OTBZNMWFPYJSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-15-6-3-8-18-23-16(13-24(15)18)12-22-19(20-2)21-9-5-10-25-14-17-7-4-11-26-17/h3-4,6-8,11,13H,5,9-10,12,14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine?
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine has a molecular weight of 355.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]guanidine is sourced from PubChem (CID 111787077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).