N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine

C29H30FN5 — CID 141069487

IUPACN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESFc1ccc2nc(CN(CCCCc3[nH]cc4ccccc34)C3CCCc4cccnc43)[nH]c2c1
InChIInChI=1S/C29H30FN5/c30-22-13-14-25-26(17-22)34-28(33-25)19-35(27-12-5-8-20-9-6-15-31-29(20)27)16-4-3-11-24-23-10-2-1-7-21(23)18-32-24/h1-2,6-7,9-10,13-15,17-18,27,32H,3-5,8,11-12,16,19H2,(H,33,34)
InChIKeyPRHUDONXVNFGEU-UHFFFAOYSA-N
MW467.59 g/mol
LogP6.48
Rot. Bonds8

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 141069487) has the molecular formula C29H30FN5 and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID141069487
Molecular FormulaC29H30FN5
Molecular Weight467.59 g/mol
Exact Mass467.25
IUPAC NameN-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESFc1ccc2nc(CN(CCCCc3[nH]cc4ccccc34)C3CCCc4cccnc43)[nH]c2c1
InChIInChI=1S/C29H30FN5/c30-22-13-14-25-26(17-22)34-28(33-25)19-35(27-12-5-8-20-9-6-15-31-29(20)27)16-4-3-11-24-23-10-2-1-7-21(23)18-32-24/h1-2,6-7,9-10,13-15,17-18,27,32H,3-5,8,11-12,16,19H2,(H,33,34)
InChIKeyPRHUDONXVNFGEU-UHFFFAOYSA-N
XLogP6.48
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine 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-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 141069487) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine is Fc1ccc2nc(CN(CCCCc3[nH]cc4ccccc34)C3CCCc4cccnc43)[nH]c2c1.
What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is PRHUDONXVNFGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5/c30-22-13-14-25-26(17-22)34-28(33-25)19-35(27-12-5-8-20-9-6-15-31-29(20)27)16-4-3-11-24-23-10-2-1-7-21(23)18-32-24/h1-2,6-7,9-10,13-15,17-18,27,32H,3-5,8,11-12,16,19H2,(H,33,34).
What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 467.59 g/mol, XLogP of 6.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[4-(2H-isoindol-1-yl)butyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 141069487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).