2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine

C17H21N5 — CID 18317787

IUPAC2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine
SMILESCc1cn(C)c2c1/C(=N/N=C(N)N)CC(c1ccccc1)C2
InChIInChI=1S/C17H21N5/c1-11-10-22(2)15-9-13(12-6-4-3-5-7-12)8-14(16(11)15)20-21-17(18)19/h3-7,10,13H,8-9H2,1-2H3,(H4,18,19,21)/b20-14+
InChIKeyUIBJNMNANQJYEI-XSFVSMFZSA-N
MW295.39 g/mol
LogP2.04
Rot. Bonds2

About 2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine

2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine (PubChem CID 18317787) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine
PubChem CID18317787
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine
SMILESCc1cn(C)c2c1/C(=N/N=C(N)N)CC(c1ccccc1)C2
InChIInChI=1S/C17H21N5/c1-11-10-22(2)15-9-13(12-6-4-3-5-7-12)8-14(16(11)15)20-21-17(18)19/h3-7,10,13H,8-9H2,1-2H3,(H4,18,19,21)/b20-14+
InChIKeyUIBJNMNANQJYEI-XSFVSMFZSA-N
XLogP2.04
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.04
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]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

2-[(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine
CID 57093884
2-[(3-ethyl-1-methylsulfonyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine
CID 57235537
2-[(E)-[6-(2-chlorophenyl)-3-methyl-1-methylsulfonyl-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine
CID 18317316
2-[(E)-(6-bromo-2-phenyl-1,2,3,9-tetrahydrocarbazol-4-ylidene)amino]guanidine
CID 135847963
2-[[7-(2-chlorophenyl)-4-methyl-7,8-dihydro-6H-cinnolin-5-ylidene]amino]guanidine
CID 57238782
2-[(Z)-[6-(2-chlorophenyl)-3-methyl-1-(3-phenylpropyl)-6,7-dihydro-5H-indazol-4-ylidene]amino]guanidine
CID 18317448
2-[(E)-[3-methyl-6-(2-methylphenyl)-1,5,6,7-tetrahydroindol-4-ylidene]amino]guanidine;hydrochloride
CID 135581637
2-[[7-(2-fluorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 70162401
2-[[7-(2,3-dichlorophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine
CID 57059464
2-[(3-methyl-6-thiophen-2-yl-6,7-dihydro-5H-1-benzofuran-4-ylidene)amino]guanidine;hydrochloride
CID 70161161
2-[(Z)-[7-(5-chloro-3-methylthiophen-2-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]guanidine;hydrochloride
CID 18317752
2-[(Z)-[7-(2,5-dichlorothiophen-3-yl)-4-methyl-1-oxido-7,8-dihydro-6H-quinolin-1-ium-5-ylidene]amino]guanidine
CID 18317577

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine?
The IUPAC name of 2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine (CID 18317787) is 2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine.
What is the SMILES notation for 2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine?
The canonical SMILES for 2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine is Cc1cn(C)c2c1/C(=N/N=C(N)N)CC(c1ccccc1)C2.
What is the InChIKey of 2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine?
The InChIKey is UIBJNMNANQJYEI-XSFVSMFZSA-N. The full InChI is InChI=1S/C17H21N5/c1-11-10-22(2)15-9-13(12-6-4-3-5-7-12)8-14(16(11)15)20-21-17(18)19/h3-7,10,13H,8-9H2,1-2H3,(H4,18,19,21)/b20-14+.
What are the key properties of 2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine?
2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine has a molecular weight of 295.39 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1,3-dimethyl-6-phenyl-6,7-dihydro-5H-indol-4-ylidene)amino]guanidine is sourced from PubChem (CID 18317787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).