2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol

C28H30N8O — CID 15802541

IUPAC2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol
SMILESOCCN(CCN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C28H30N8O/c37-16-15-35(17-26-29-20-7-1-2-8-21(20)30-26)13-14-36(18-27-31-22-9-3-4-10-23(22)32-27)19-28-33-24-11-5-6-12-25(24)34-28/h1-12,37H,13-19H2,(H,29,30)(H,31,32)(H,33,34)
InChIKeyVIISBDHXHYHVAN-UHFFFAOYSA-N
MW494.60 g/mol
LogP3.81
Rot. Bonds11

About 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol

2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol (PubChem CID 15802541) has the molecular formula C28H30N8O and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol
PubChem CID15802541
Molecular FormulaC28H30N8O
Molecular Weight494.60 g/mol
Exact Mass494.25
IUPAC Name2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol
SMILESOCCN(CCN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C28H30N8O/c37-16-15-35(17-26-29-20-7-1-2-8-21(20)30-26)13-14-36(18-27-31-22-9-3-4-10-23(22)32-27)19-28-33-24-11-5-6-12-25(24)34-28/h1-12,37H,13-19H2,(H,29,30)(H,31,32)(H,33,34)
InChIKeyVIISBDHXHYHVAN-UHFFFAOYSA-N
XLogP3.81
TPSA112.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol 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-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol?
The IUPAC name of 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol (CID 15802541) is 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol.
What is the SMILES notation for 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol?
The canonical SMILES for 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol is OCCN(CCN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol?
The InChIKey is VIISBDHXHYHVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O/c37-16-15-35(17-26-29-20-7-1-2-8-21(20)30-26)13-14-36(18-27-31-22-9-3-4-10-23(22)32-27)19-28-33-24-11-5-6-12-25(24)34-28/h1-12,37H,13-19H2,(H,29,30)(H,31,32)(H,33,34).
What are the key properties of 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol?
2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol has a molecular weight of 494.60 g/mol, XLogP of 3.81, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanol is sourced from PubChem (CID 15802541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).