2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine

C25H30N6O2 — CID 69150487

IUPAC2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine
SMILESCOc1ccc2[nH]c(C)c(CC=NN/C(N)=N/CCc3c(C)[nH]c4ccc(OC)cc34)c2c1
InChIInChI=1S/C25H30N6O2/c1-15-19(21-13-17(32-3)5-7-23(21)29-15)9-11-27-25(26)31-28-12-10-20-16(2)30-24-8-6-18(33-4)14-22(20)24/h5-8,12-14,29-30H,9-11H2,1-4H3,(H3,26,27,31)
InChIKeyXQNWFCGACSSSHP-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.96
Rot. Bonds8

About 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine

2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine (PubChem CID 69150487) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine
PubChem CID69150487
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine
SMILESCOc1ccc2[nH]c(C)c(CC=NN/C(N)=N/CCc3c(C)[nH]c4ccc(OC)cc34)c2c1
InChIInChI=1S/C25H30N6O2/c1-15-19(21-13-17(32-3)5-7-23(21)29-15)9-11-27-25(26)31-28-12-10-20-16(2)30-24-8-6-18(33-4)14-22(20)24/h5-8,12-14,29-30H,9-11H2,1-4H3,(H3,26,27,31)
InChIKeyXQNWFCGACSSSHP-UHFFFAOYSA-N
XLogP3.96
TPSA112.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine 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

5-methoxy-2-methyl-3-prop-2-enyl-1H-indole
CID 156558108
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine
CID 65335669
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942
1-(2,5-diethoxyphenyl)-2-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 111095528
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
2-[N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-C-methylcarbonimidoyl]-5-phenylcyclohexane-1,3-dione
CID 7120421
2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84637812
1-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine;hydroiodide
CID 135616888
N-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine
CID 3988513
4-ethoxy-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3964819
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335671
6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione
CID 790258

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine?
The IUPAC name of 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine (CID 69150487) is 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine?
The canonical SMILES for 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine is COc1ccc2[nH]c(C)c(CC=NN/C(N)=N/CCc3c(C)[nH]c4ccc(OC)cc34)c2c1.
What is the InChIKey of 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine?
The InChIKey is XQNWFCGACSSSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-15-19(21-13-17(32-3)5-7-23(21)29-15)9-11-27-25(26)31-28-12-10-20-16(2)30-24-8-6-18(33-4)14-22(20)24/h5-8,12-14,29-30H,9-11H2,1-4H3,(H3,26,27,31).
What are the key properties of 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine?
2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine has a molecular weight of 446.56 g/mol, XLogP of 3.96, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine is sourced from PubChem (CID 69150487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).