N-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide

C30H25N7O — CID 23646219

IUPACN-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide
SMILES[H]/N=C(\N)c1ccc2[nH]cc(C(Cc3cccnc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1
InChIInChI=1S/C30H25N7O/c31-29(32)20-7-12-26-23(15-20)25(17-34-26)24(14-19-4-3-13-33-16-19)30(38)36-21-8-10-22(11-9-21)37-18-35-27-5-1-2-6-28(27)37/h1-13,15-18,24,34H,14H2,(H3,31,32)(H,36,38)
InChIKeyVBDBTLANBDJZRR-UHFFFAOYSA-N
MW499.58 g/mol
LogP5.15
Rot. Bonds7

About N-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide

N-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide (PubChem CID 23646219) has the molecular formula C30H25N7O and a molecular weight of 499.58 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide
PubChem CID23646219
Molecular FormulaC30H25N7O
Molecular Weight499.58 g/mol
Exact Mass499.21
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide
SMILES[H]/N=C(\N)c1ccc2[nH]cc(C(Cc3cccnc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1
InChIInChI=1S/C30H25N7O/c31-29(32)20-7-12-26-23(15-20)25(17-34-26)24(14-19-4-3-13-33-16-19)30(38)36-21-8-10-22(11-9-21)37-18-35-27-5-1-2-6-28(27)37/h1-13,15-18,24,34H,14H2,(H3,31,32)(H,36,38)
InChIKeyVBDBTLANBDJZRR-UHFFFAOYSA-N
XLogP5.15
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.58
LogP ≤ 55.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide 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 N-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide (CID 23646219) is N-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide is [H]/N=C(\N)c1ccc2[nH]cc(C(Cc3cccnc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide?
The InChIKey is VBDBTLANBDJZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N7O/c31-29(32)20-7-12-26-23(15-20)25(17-34-26)24(14-19-4-3-13-33-16-19)30(38)36-21-8-10-22(11-9-21)37-18-35-27-5-1-2-6-28(27)37/h1-13,15-18,24,34H,14H2,(H3,31,32)(H,36,38).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide?
N-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide has a molecular weight of 499.58 g/mol, XLogP of 5.15, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 23646219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).