2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine

C21H26N4O2 — CID 111602999

IUPAC2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
SMILESC/N=C(\NCc1ccc(OC(C)C)nc1)NCc1oc2ccccc2c1C
InChIInChI=1S/C21H26N4O2/c1-14(2)26-20-10-9-16(11-23-20)12-24-21(22-4)25-13-19-15(3)17-7-5-6-8-18(17)27-19/h5-11,14H,12-13H2,1-4H3,(H2,22,24,25)
InChIKeyOFGRTLBYSDXPJE-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.79
Rot. Bonds6

About 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine

2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine (PubChem CID 111602999) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
PubChem CID111602999
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
SMILESC/N=C(\NCc1ccc(OC(C)C)nc1)NCc1oc2ccccc2c1C
InChIInChI=1S/C21H26N4O2/c1-14(2)26-20-10-9-16(11-23-20)12-24-21(22-4)25-13-19-15(3)17-7-5-6-8-18(17)27-19/h5-11,14H,12-13H2,1-4H3,(H2,22,24,25)
InChIKeyOFGRTLBYSDXPJE-UHFFFAOYSA-N
XLogP3.79
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.79
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'}

Analyze 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine with MolForge

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Launch Full Analysis

Related Compounds

1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 111353594
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111131445
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111233350
2-methyl-1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260114
1-[2-(furan-2-yl)ethyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111353593
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111218040
1-[[4-(dimethylamino)phenyl]methyl]-2-methyl-3-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine
CID 111603857
1-[2-(2-fluorophenoxy)propyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 111684054
2-methyl-N-[4-[[[N'-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]carbamimidoyl]amino]methyl]phenyl]propanamide
CID 111602493
2-methyl-1-(2-methylsulfanylethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 111343707
2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111603060
4-[[[N'-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111602497

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine (CID 111602999) is 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine is C/N=C(\NCc1ccc(OC(C)C)nc1)NCc1oc2ccccc2c1C.
What is the InChIKey of 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
The InChIKey is OFGRTLBYSDXPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(2)26-20-10-9-16(11-23-20)12-24-21(22-4)25-13-19-15(3)17-7-5-6-8-18(17)27-19/h5-11,14H,12-13H2,1-4H3,(H2,22,24,25).
What are the key properties of 2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine has a molecular weight of 366.47 g/mol, XLogP of 3.79, 6 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-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111602999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).