2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine

C18H24N10 — CID 91172642

IUPAC2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine
SMILESC(\CN(C/C=N/Cc1cnc[nH]1)C/C=N/Cc1cnc[nH]1)=N/Cc1cnc[nH]1
InChIInChI=1S/C18H24N10/c1(19-7-16-10-22-13-25-16)4-28(5-2-20-8-17-11-23-14-26-17)6-3-21-9-18-12-24-15-27-18/h1-3,10-15H,4-9H2,(H,22,25)(H,23,26)(H,24,27)/b19-1+,20-2+,21-3+
InChIKeyMZPNHDWAUMAKRS-HIIAPSIFSA-N
MW380.46 g/mol
LogP1.27
Rot. Bonds12

About 2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine

2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine (PubChem CID 91172642) has the molecular formula C18H24N10 and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine
PubChem CID91172642
Molecular FormulaC18H24N10
Molecular Weight380.46 g/mol
Exact Mass380.22
IUPAC Name2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine
SMILESC(\CN(C/C=N/Cc1cnc[nH]1)C/C=N/Cc1cnc[nH]1)=N/Cc1cnc[nH]1
InChIInChI=1S/C18H24N10/c1(19-7-16-10-22-13-25-16)4-28(5-2-20-8-17-11-23-14-26-17)6-3-21-9-18-12-24-15-27-18/h1-3,10-15H,4-9H2,(H,22,25)(H,23,26)(H,24,27)/b19-1+,20-2+,21-3+
InChIKeyMZPNHDWAUMAKRS-HIIAPSIFSA-N
XLogP1.27
TPSA126.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine?
The IUPAC name of 2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine (CID 91172642) is 2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine is C(\CN(C/C=N/Cc1cnc[nH]1)C/C=N/Cc1cnc[nH]1)=N/Cc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine?
The InChIKey is MZPNHDWAUMAKRS-HIIAPSIFSA-N. The full InChI is InChI=1S/C18H24N10/c1(19-7-16-10-22-13-25-16)4-28(5-2-20-8-17-11-23-14-26-17)6-3-21-9-18-12-24-15-27-18/h1-3,10-15H,4-9H2,(H,22,25)(H,23,26)(H,24,27)/b19-1+,20-2+,21-3+.
What are the key properties of 2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine?
2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine has a molecular weight of 380.46 g/mol, XLogP of 1.27, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethylimino)-N,N-bis[2-(1H-imidazol-5-ylmethylimino)ethyl]ethanamine is sourced from PubChem (CID 91172642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).