2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide

C33H28N6O — CID 23646229

IUPAC2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide
SMILES[H]/N=C(\N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(-n4cnc(-c5ccccc5)c4)cc3)c2c1
InChIInChI=1S/C33H28N6O/c34-32(35)24-11-16-30-27(18-24)29(19-36-30)28(17-22-7-3-1-4-8-22)33(40)38-25-12-14-26(15-13-25)39-20-31(37-21-39)23-9-5-2-6-10-23/h1-16,18-21,28,36H,17H2,(H3,34,35)(H,38,40)
InChIKeyMDFMMWJAJRKSRK-UHFFFAOYSA-N
MW524.63 g/mol
LogP6.27
Rot. Bonds8

About 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide

2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide (PubChem CID 23646229) has the molecular formula C33H28N6O and a molecular weight of 524.63 g/mol. Its IUPAC name is 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide
PubChem CID23646229
Molecular FormulaC33H28N6O
Molecular Weight524.63 g/mol
Exact Mass524.23
IUPAC Name2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide
SMILES[H]/N=C(\N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(-n4cnc(-c5ccccc5)c4)cc3)c2c1
InChIInChI=1S/C33H28N6O/c34-32(35)24-11-16-30-27(18-24)29(19-36-30)28(17-22-7-3-1-4-8-22)33(40)38-25-12-14-26(15-13-25)39-20-31(37-21-39)23-9-5-2-6-10-23/h1-16,18-21,28,36H,17H2,(H3,34,35)(H,38,40)
InChIKeyMDFMMWJAJRKSRK-UHFFFAOYSA-N
XLogP6.27
TPSA112.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 56.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide (CID 23646229) is 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide is [H]/N=C(\N)c1ccc2[nH]cc(C(Cc3ccccc3)C(=O)Nc3ccc(-n4cnc(-c5ccccc5)c4)cc3)c2c1.
What is the InChIKey of 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide?
The InChIKey is MDFMMWJAJRKSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N6O/c34-32(35)24-11-16-30-27(18-24)29(19-36-30)28(17-22-7-3-1-4-8-22)33(40)38-25-12-14-26(15-13-25)39-20-31(37-21-39)23-9-5-2-6-10-23/h1-16,18-21,28,36H,17H2,(H3,34,35)(H,38,40).
What are the key properties of 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide?
2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide has a molecular weight of 524.63 g/mol, XLogP of 6.27, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenylimidazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 23646229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).