1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine

C19H20N4 — CID 111087924

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1cc2ccccc2[nH]1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H20N4/c20-19(23-16-9-8-13-5-3-6-14(13)10-16)21-12-17-11-15-4-1-2-7-18(15)22-17/h1-2,4,7-11,22H,3,5-6,12H2,(H3,20,21,23)
InChIKeyUSPKADZAMHYNJG-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.58
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine (PubChem CID 111087924) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine
PubChem CID111087924
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine
SMILESN/C(=N\Cc1cc2ccccc2[nH]1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H20N4/c20-19(23-16-9-8-13-5-3-6-14(13)10-16)21-12-17-11-15-4-1-2-7-18(15)22-17/h1-2,4,7-11,22H,3,5-6,12H2,(H3,20,21,23)
InChIKeyUSPKADZAMHYNJG-UHFFFAOYSA-N
XLogP3.58
TPSA66.20 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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-benzyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111022842
2-(1-benzofuran-2-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111071384
1-(2,6-diethylphenyl)-2-(1H-indol-2-ylmethyl)guanidine
CID 111087898
1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-fluorophenyl)methyl]guanidine
CID 111044144
1-cyclohexyl-2-(1H-indol-2-ylmethyl)guanidine
CID 111087874
1-(2,3-dihydro-1H-inden-5-yl)-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111071582
1-(cyclobutylmethyl)-2-(1H-indol-2-ylmethyl)guanidine
CID 111087928
1-(2,3-dihydro-1H-inden-5-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111046213
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methyl-2-oxoquinolin-3-yl)methyl]guanidine;hydrobromide
CID 154806562
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111095513
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-ethoxyphenyl)methyl]guanidine
CID 111044310
2-(1H-indol-2-ylmethyl)-1-propylguanidine
CID 111087878

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine (CID 111087924) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine is N/C(=N\Cc1cc2ccccc2[nH]1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine?
The InChIKey is USPKADZAMHYNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c20-19(23-16-9-8-13-5-3-6-14(13)10-16)21-12-17-11-15-4-1-2-7-18(15)22-17/h1-2,4,7-11,22H,3,5-6,12H2,(H3,20,21,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine has a molecular weight of 304.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(1H-indol-2-ylmethyl)guanidine is sourced from PubChem (CID 111087924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).