1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide

C19H25IN4S — CID 111837140

IUPAC1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
SMILESCCc1cccc2c(CCN/C(=N/C)NCc3cccs3)c[nH]c12.I
InChIInChI=1S/C19H24N4S.HI/c1-3-14-6-4-8-17-15(12-22-18(14)17)9-10-21-19(20-2)23-13-16-7-5-11-24-16;/h4-8,11-12,22H,3,9-10,13H2,1-2H3,(H2,20,21,23);1H
InChIKeyCYFOPIFRXCMQIJ-UHFFFAOYSA-N
MW468.41 g/mol
LogP4.32
Rot. Bonds6

About 1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide

1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide (PubChem CID 111837140) has the molecular formula C19H25IN4S and a molecular weight of 468.41 g/mol. Its IUPAC name is 1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
PubChem CID111837140
Molecular FormulaC19H25IN4S
Molecular Weight468.41 g/mol
Exact Mass468.08
IUPAC Name1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
SMILESCCc1cccc2c(CCN/C(=N/C)NCc3cccs3)c[nH]c12.I
InChIInChI=1S/C19H24N4S.HI/c1-3-14-6-4-8-17-15(12-22-18(14)17)9-10-21-19(20-2)23-13-16-7-5-11-24-16;/h4-8,11-12,22H,3,9-10,13H2,1-2H3,(H2,20,21,23);1H
InChIKeyCYFOPIFRXCMQIJ-UHFFFAOYSA-N
XLogP4.32
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.41
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111835579
2-methyl-1-[2-(4-methyl-1H-indol-3-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260288
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 109396733
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111835793
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111840154
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109407356
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260212
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111981321
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylguanidine
CID 109445911
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111117710
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111117711
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111782543

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide (CID 111837140) is 1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide is CCc1cccc2c(CCN/C(=N/C)NCc3cccs3)c[nH]c12.I.
What is the InChIKey of 1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is CYFOPIFRXCMQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S.HI/c1-3-14-6-4-8-17-15(12-22-18(14)17)9-10-21-19(20-2)23-13-16-7-5-11-24-16;/h4-8,11-12,22H,3,9-10,13H2,1-2H3,(H2,20,21,23);1H.
What are the key properties of 1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide?
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 468.41 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111837140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).