2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide

C24H21N5O — CID 6435280

IUPAC2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(/C=C/c3cc4ccc(/C(N)=N/[H])cc4[nH]3)cc2)cc1
InChIInChI=1S/C24H21N5O/c25-23(26)16-6-11-21(12-7-16)30-20-9-2-15(3-10-20)1-8-19-13-17-4-5-18(24(27)28)14-22(17)29-19/h1-14,29H,(H3,25,26)(H3,27,28)/b8-1+
InChIKeyYKVHMCUFFLUYBW-UNXLUWIOSA-N
MW395.47 g/mol
LogP4.70
Rot. Bonds6

About 2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide

2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide (PubChem CID 6435280) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide.

Molecular Properties

Compound Name2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide
PubChem CID6435280
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2ccc(/C=C/c3cc4ccc(/C(N)=N/[H])cc4[nH]3)cc2)cc1
InChIInChI=1S/C24H21N5O/c25-23(26)16-6-11-21(12-7-16)30-20-9-2-15(3-10-20)1-8-19-13-17-4-5-18(24(27)28)14-22(17)29-19/h1-14,29H,(H3,25,26)(H3,27,28)/b8-1+
InChIKeyYKVHMCUFFLUYBW-UNXLUWIOSA-N
XLogP4.70
TPSA124.76 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide 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-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide;hydrate;dihydrochloride
CID 18676829
6-methoxynaphthalene-2-carboximidamide
CID 3274917
3-amino-4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide
CID 24846143
4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide
CID 135923501
4-[(Z)-2-(4-carbamimidoylphenyl)ethenyl]-3-methylbenzenecarboximidamide;dihydrochloride
CID 24846159
7-carbamimidoyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 176988875
2-[(E)-2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethenyl]-3H-benzimidazole-5-carboximidamide;tetrahydrochloride
CID 6918212
2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide
CID 155294731
4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724678
(4-carbamimidoylphenyl) (E)-3-phenylprop-2-enoate
CID 6438970
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide?
The IUPAC name of 2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide (CID 6435280) is 2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide.
What is the SMILES notation for 2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide?
The canonical SMILES for 2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide is [H]/N=C(\N)c1ccc(Oc2ccc(/C=C/c3cc4ccc(/C(N)=N/[H])cc4[nH]3)cc2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide?
The InChIKey is YKVHMCUFFLUYBW-UNXLUWIOSA-N. The full InChI is InChI=1S/C24H21N5O/c25-23(26)16-6-11-21(12-7-16)30-20-9-2-15(3-10-20)1-8-19-13-17-4-5-18(24(27)28)14-22(17)29-19/h1-14,29H,(H3,25,26)(H3,27,28)/b8-1+.
What are the key properties of 2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide?
2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide has a molecular weight of 395.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide is sourced from PubChem (CID 6435280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).