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

C18H20N6 — CID 18322607

IUPACN,N'-bis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
SMILESc1ccc2[nH]c(CNCCNCc3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C18H20N6/c1-2-6-14-13(5-1)21-17(22-14)11-19-9-10-20-12-18-23-15-7-3-4-8-16(15)24-18/h1-8,19-20H,9-12H2,(H,21,22)(H,23,24)
InChIKeyZOSWODIVQNQUAA-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.32
Rot. Bonds7

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

N,N'-bis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine (PubChem CID 18322607) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is N,N'-bis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
PubChem CID18322607
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC NameN,N'-bis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
SMILESc1ccc2[nH]c(CNCCNCc3nc4ccccc4[nH]3)nc2c1
InChIInChI=1S/C18H20N6/c1-2-6-14-13(5-1)21-17(22-14)11-19-9-10-20-12-18-23-15-7-3-4-8-16(15)24-18/h1-8,19-20H,9-12H2,(H,21,22)(H,23,24)
InChIKeyZOSWODIVQNQUAA-UHFFFAOYSA-N
XLogP2.32
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine (CID 18322607) is N,N'-bis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine is c1ccc2[nH]c(CNCCNCc3nc4ccccc4[nH]3)nc2c1.
What is the InChIKey of N,N'-bis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ZOSWODIVQNQUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-2-6-14-13(5-1)21-17(22-14)11-19-9-10-20-12-18-23-15-7-3-4-8-16(15)24-18/h1-8,19-20H,9-12H2,(H,21,22)(H,23,24).
What are the key properties of N,N'-bis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine?
N,N'-bis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 320.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 18322607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).