N-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide

C21H24N4O2 — CID 44628377

IUPACN-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide
SMILESNc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(C4CCCC4)nc23)cc1
InChIInChI=1S/C21H24N4O2/c22-15-7-5-13(6-8-15)11-12-23-21(27)16-9-10-17(26)19-18(16)24-20(25-19)14-3-1-2-4-14/h5-10,14,26H,1-4,11-12,22H2,(H,23,27)(H,24,25)
InChIKeyCYEZNUPYHKNUEM-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.48
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide

N-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide (PubChem CID 44628377) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide
PubChem CID44628377
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide
SMILESNc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(C4CCCC4)nc23)cc1
InChIInChI=1S/C21H24N4O2/c22-15-7-5-13(6-8-15)11-12-23-21(27)16-9-10-17(26)19-18(16)24-20(25-19)14-3-1-2-4-14/h5-10,14,26H,1-4,11-12,22H2,(H,23,27)(H,24,25)
InChIKeyCYEZNUPYHKNUEM-UHFFFAOYSA-N
XLogP3.48
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide 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-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide (CID 44628377) is N-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide is Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(C4CCCC4)nc23)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide?
The InChIKey is CYEZNUPYHKNUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-15-7-5-13(6-8-15)11-12-23-21(27)16-9-10-17(26)19-18(16)24-20(25-19)14-3-1-2-4-14/h5-10,14,26H,1-4,11-12,22H2,(H,23,27)(H,24,25).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide?
N-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-cyclopentyl-7-hydroxy-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 44628377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).