1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine

C18H24N4S — CID 111088791

IUPAC1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
SMILESCC1Cc2ccccc2N1CCN/C(N)=N/CCc1cccs1
InChIInChI=1S/C18H24N4S/c1-14-13-15-5-2-3-7-17(15)22(14)11-10-21-18(19)20-9-8-16-6-4-12-23-16/h2-7,12,14H,8-11,13H2,1H3,(H3,19,20,21)
InChIKeyRICALEHYWPNCHI-UHFFFAOYSA-N
MW328.49 g/mol
LogP2.65
Rot. Bonds6

About 1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine

1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111088791) has the molecular formula C18H24N4S and a molecular weight of 328.49 g/mol. Its IUPAC name is 1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
PubChem CID111088791
Molecular FormulaC18H24N4S
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC Name1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
SMILESCC1Cc2ccccc2N1CCN/C(N)=N/CCc1cccs1
InChIInChI=1S/C18H24N4S/c1-14-13-15-5-2-3-7-17(15)22(14)11-10-21-18(19)20-9-8-16-6-4-12-23-16/h2-7,12,14H,8-11,13H2,1H3,(H3,19,20,21)
InChIKeyRICALEHYWPNCHI-UHFFFAOYSA-N
XLogP2.65
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butyl-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 111088770
1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 111088779
2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 110917258
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine;hydroiodide
CID 111088806
1-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111066876
2-[4-(4-methylpiperazin-1-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111060171
1-(1-methoxypropan-2-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
CID 111088821
N'-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]morpholine-4-carboximidamide
CID 111088775
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
CID 111088815
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]guanidine
CID 111202882
1-[2-(2-chlorophenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111044377
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111078803

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine (CID 111088791) is 1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine is CC1Cc2ccccc2N1CCN/C(N)=N/CCc1cccs1.
What is the InChIKey of 1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is RICALEHYWPNCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-14-13-15-5-2-3-7-17(15)22(14)11-10-21-18(19)20-9-8-16-6-4-12-23-16/h2-7,12,14H,8-11,13H2,1H3,(H3,19,20,21).
What are the key properties of 1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine?
1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 328.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111088791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).