1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine

C20H21N3O — CID 111814262

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine
SMILESCc1c(C/N=C(\N)Nc2ccc3c(c2)CCC3)oc2ccccc12
InChIInChI=1S/C20H21N3O/c1-13-17-7-2-3-8-18(17)24-19(13)12-22-20(21)23-16-10-9-14-5-4-6-15(14)11-16/h2-3,7-11H,4-6,12H2,1H3,(H3,21,22,23)
InChIKeyVWZNDMGTNVWNHZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.16
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine (PubChem CID 111814262) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine
PubChem CID111814262
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine
SMILESCc1c(C/N=C(\N)Nc2ccc3c(c2)CCC3)oc2ccccc12
InChIInChI=1S/C20H21N3O/c1-13-17-7-2-3-8-18(17)24-19(13)12-22-20(21)23-16-10-9-14-5-4-6-15(14)11-16/h2-3,7-11H,4-6,12H2,1H3,(H3,21,22,23)
InChIKeyVWZNDMGTNVWNHZ-UHFFFAOYSA-N
XLogP4.16
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111071384
2-benzyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111022842
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111078308
1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119120641
1-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-3-pyridinyl)methyl]guanidine
CID 119118827
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylpyrrol-3-yl)methyl]guanidine
CID 111721769
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-ethoxyphenyl)methyl]guanidine
CID 111044310
1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-fluorophenyl)methyl]guanidine
CID 111044144
1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine
CID 111087924
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-ethoxyphenyl)methyl]guanidine;hydroiodide
CID 111044309
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)guanidine;hydroiodide
CID 111071201
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methyl-2-oxoquinolin-3-yl)methyl]guanidine;hydrobromide
CID 154806562

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine (CID 111814262) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine is Cc1c(C/N=C(\N)Nc2ccc3c(c2)CCC3)oc2ccccc12.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine?
The InChIKey is VWZNDMGTNVWNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-13-17-7-2-3-8-18(17)24-19(13)12-22-20(21)23-16-10-9-14-5-4-6-15(14)11-16/h2-3,7-11H,4-6,12H2,1H3,(H3,21,22,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine has a molecular weight of 319.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine is sourced from PubChem (CID 111814262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).