bis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine

C38H44N10O4 — CID 139066730

IUPACbis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
SMILESOCCO.OCCO.c1ccc2[nH]c(CN(CCN(Cc3nc4ccccc4[nH]3)Cc3nc4ccccc4[nH]3)Cc3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C34H32N10.2C2H6O2/c1-2-10-24-23(9-1)35-31(36-24)19-43(20-32-37-25-11-3-4-12-26(25)38-32)17-18-44(21-33-39-27-13-5-6-14-28(27)40-33)22-34-41-29-15-7-8-16-30(29)42-34;2*3-1-2-4/h1-16H,17-22H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42);2*3-4H,1-2H2
InChIKeyPGVOURDHYFTKDH-UHFFFAOYSA-N
MW704.84 g/mol
LogP3.84
Rot. Bonds13

About bis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine

bis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine (PubChem CID 139066730) has the molecular formula C38H44N10O4 and a molecular weight of 704.84 g/mol. Its IUPAC name is bis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Namebis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
PubChem CID139066730
Molecular FormulaC38H44N10O4
Molecular Weight704.84 g/mol
Exact Mass704.35
IUPAC Namebis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
SMILESOCCO.OCCO.c1ccc2[nH]c(CN(CCN(Cc3nc4ccccc4[nH]3)Cc3nc4ccccc4[nH]3)Cc3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C34H32N10.2C2H6O2/c1-2-10-24-23(9-1)35-31(36-24)19-43(20-32-37-25-11-3-4-12-26(25)38-32)17-18-44(21-33-39-27-13-5-6-14-28(27)40-33)22-34-41-29-15-7-8-16-30(29)42-34;2*3-1-2-4/h1-16H,17-22H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42);2*3-4H,1-2H2
InChIKeyPGVOURDHYFTKDH-UHFFFAOYSA-N
XLogP3.84
TPSA202.12 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.84
LogP ≤ 53.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze bis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine 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 bis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of bis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine (CID 139066730) is bis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for bis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for bis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine is OCCO.OCCO.c1ccc2[nH]c(CN(CCN(Cc3nc4ccccc4[nH]3)Cc3nc4ccccc4[nH]3)Cc3nc4ccccc4[nH]3)nc2c1.
What is the InChIKey of bis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is PGVOURDHYFTKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N10.2C2H6O2/c1-2-10-24-23(9-1)35-31(36-24)19-43(20-32-37-25-11-3-4-12-26(25)38-32)17-18-44(21-33-39-27-13-5-6-14-28(27)40-33)22-34-41-29-15-7-8-16-30(29)42-34;2*3-1-2-4/h1-16H,17-22H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42);2*3-4H,1-2H2.
What are the key properties of bis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine?
bis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 704.84 g/mol, XLogP of 3.84, 13 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethane-1,2-diol);N,N,N',N'-tetrakis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 139066730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).