2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine

C18H27N7 — CID 140748021

IUPAC2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine
SMILESCn1ccnc1CCN(CCc1nccn1C)CCc1nccn1C
InChIInChI=1S/C18H27N7/c1-22-13-7-19-16(22)4-10-25(11-5-17-20-8-14-23(17)2)12-6-18-21-9-15-24(18)3/h7-9,13-15H,4-6,10-12H2,1-3H3
InChIKeyQWYLMUAXCAIWDV-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.22
Rot. Bonds9

About 2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine

2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine (PubChem CID 140748021) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine
PubChem CID140748021
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine
SMILESCn1ccnc1CCN(CCc1nccn1C)CCc1nccn1C
InChIInChI=1S/C18H27N7/c1-22-13-7-19-16(22)4-10-25(11-5-17-20-8-14-23(17)2)12-6-18-21-9-15-24(18)3/h7-9,13-15H,4-6,10-12H2,1-3H3
InChIKeyQWYLMUAXCAIWDV-UHFFFAOYSA-N
XLogP1.22
TPSA56.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine (CID 140748021) is 2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine is Cn1ccnc1CCN(CCc1nccn1C)CCc1nccn1C.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
The InChIKey is QWYLMUAXCAIWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-22-13-7-19-16(22)4-10-25(11-5-17-20-8-14-23(17)2)12-6-18-21-9-15-24(18)3/h7-9,13-15H,4-6,10-12H2,1-3H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine?
2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine has a molecular weight of 341.46 g/mol, XLogP of 1.22, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-N,N-bis[2-(1-methylimidazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 140748021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).