N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine

C12H19N5 — CID 106718905

IUPACN-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCn2ccnc2C)cn1
InChIInChI=1S/C12H19N5/c1-3-13-8-12-9-16(10-15-12)6-7-17-5-4-14-11(17)2/h4-5,9-10,13H,3,6-8H2,1-2H3
InChIKeyXSZQTQPPQZHPRN-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.20
Rot. Bonds6

About N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine

N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine (PubChem CID 106718905) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine
PubChem CID106718905
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCn2ccnc2C)cn1
InChIInChI=1S/C12H19N5/c1-3-13-8-12-9-16(10-15-12)6-7-17-5-4-14-11(17)2/h4-5,9-10,13H,3,6-8H2,1-2H3
InChIKeyXSZQTQPPQZHPRN-UHFFFAOYSA-N
XLogP1.20
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine (CID 106718905) is N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine is CCNCc1cn(CCn2ccnc2C)cn1.
What is the InChIKey of N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
The InChIKey is XSZQTQPPQZHPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-13-8-12-9-16(10-15-12)6-7-17-5-4-14-11(17)2/h4-5,9-10,13H,3,6-8H2,1-2H3.
What are the key properties of N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine?
N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine has a molecular weight of 233.32 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 106718905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).