2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide

C23H20N4 — CID 165097178

IUPAC2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3ccc(-c4ccc(/C(C)=N/[H])cc4)cc3)cc2c1
InChIInChI=1S/C23H20N4/c1-14(24)15-2-4-16(5-3-15)17-6-8-18(9-7-17)22-13-20-12-19(23(25)26)10-11-21(20)27-22/h2-13,24,27H,1H3,(H3,25,26)/b24-14+
InChIKeyIGRRWSCZHNDFAM-ZVHZXABRSA-N
MW352.44 g/mol
LogP5.17
Rot. Bonds4

About 2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide

2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide (PubChem CID 165097178) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide.

Molecular Properties

Compound Name2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide
PubChem CID165097178
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3ccc(-c4ccc(/C(C)=N/[H])cc4)cc3)cc2c1
InChIInChI=1S/C23H20N4/c1-14(24)15-2-4-16(5-3-15)17-6-8-18(9-7-17)22-13-20-12-19(23(25)26)10-11-21(20)27-22/h2-13,24,27H,1H3,(H3,25,26)/b24-14+
InChIKeyIGRRWSCZHNDFAM-ZVHZXABRSA-N
XLogP5.17
TPSA89.51 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-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-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide
CID 3010563
2-(4-carbamimidoyl-2-methylphenyl)-1H-indole-5-carboximidamide
CID 53320554
2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide;hydrate;dihydrochloride
CID 18676829
4-ethanimidoylbenzenecarboximidamide
CID 148687988
2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide
CID 155294731
7-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1H-indol-2-yl]naphthalene-2-carboximidamide;trihydrochloride
CID 11671033
1-(2-phenyl-1H-indol-5-yl)ethanone
CID 44542857
4-[6-(4-carbamimidoylphenyl)-1H-indol-2-yl]pyridine-2-carboximidamide;trihydrochloride
CID 53358800
4-[6-(diaminomethyl)-1H-indol-2-yl]benzenecarboximidamide
CID 118200511
2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide
CID 25254513
2-[4-(4-carbamimidoylphenyl)phenyl]-3H-benzimidazole-5-carboximidamide
CID 5327049
ethane;4-phenylbenzenecarboximidamide
CID 91221015

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide?
The IUPAC name of 2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide (CID 165097178) is 2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide.
What is the SMILES notation for 2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide?
The canonical SMILES for 2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide is [H]/N=C(\N)c1ccc2[nH]c(-c3ccc(-c4ccc(/C(C)=N/[H])cc4)cc3)cc2c1.
What is the InChIKey of 2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide?
The InChIKey is IGRRWSCZHNDFAM-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H20N4/c1-14(24)15-2-4-16(5-3-15)17-6-8-18(9-7-17)22-13-20-12-19(23(25)26)10-11-21(20)27-22/h2-13,24,27H,1H3,(H3,25,26)/b24-14+.
What are the key properties of 2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide?
2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide has a molecular weight of 352.44 g/mol, XLogP of 5.17, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide is sourced from PubChem (CID 165097178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).