2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine

C20H24N6 — CID 3147185

IUPAC2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(CCCCCCc3nc4ccc(N)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C20H24N6/c21-13-7-9-15-17(11-13)25-19(23-15)5-3-1-2-4-6-20-24-16-10-8-14(22)12-18(16)26-20/h7-12H,1-6,21-22H2,(H,23,25)(H,24,26)
InChIKeyPTSIRYAGKQFWLI-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.95
Rot. Bonds7

About 2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine

2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine (PubChem CID 3147185) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine
PubChem CID3147185
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(CCCCCCc3nc4ccc(N)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C20H24N6/c21-13-7-9-15-17(11-13)25-19(23-15)5-3-1-2-4-6-20-24-16-10-8-14(22)12-18(16)26-20/h7-12H,1-6,21-22H2,(H,23,25)(H,24,26)
InChIKeyPTSIRYAGKQFWLI-UHFFFAOYSA-N
XLogP3.95
TPSA109.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-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 2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine (CID 3147185) is 2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine is Nc1ccc2nc(CCCCCCc3nc4ccc(N)cc4[nH]3)[nH]c2c1.
What is the InChIKey of 2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine?
The InChIKey is PTSIRYAGKQFWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c21-13-7-9-15-17(11-13)25-19(23-15)5-3-1-2-4-6-20-24-16-10-8-14(22)12-18(16)26-20/h7-12H,1-6,21-22H2,(H,23,25)(H,24,26).
What are the key properties of 2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine?
2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine has a molecular weight of 348.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-amino-1H-benzimidazol-2-yl)hexyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 3147185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).