2-(1-imidazol-1-ylimidazol-4-yl)ethanamine

C8H11N5 — CID 175322822

IUPAC2-(1-imidazol-1-ylimidazol-4-yl)ethanamine
SMILESNCCc1cn(-n2ccnc2)cn1
InChIInChI=1S/C8H11N5/c9-2-1-8-5-13(7-11-8)12-4-3-10-6-12/h3-7H,1-2,9H2
InChIKeyLFKKPBFYTYMQFT-UHFFFAOYSA-N
MW177.21 g/mol
LogP-0.11
Rot. Bonds3

About 2-(1-imidazol-1-ylimidazol-4-yl)ethanamine

2-(1-imidazol-1-ylimidazol-4-yl)ethanamine (PubChem CID 175322822) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-(1-imidazol-1-ylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-imidazol-1-ylimidazol-4-yl)ethanamine
PubChem CID175322822
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name2-(1-imidazol-1-ylimidazol-4-yl)ethanamine
SMILESNCCc1cn(-n2ccnc2)cn1
InChIInChI=1S/C8H11N5/c9-2-1-8-5-13(7-11-8)12-4-3-10-6-12/h3-7H,1-2,9H2
InChIKeyLFKKPBFYTYMQFT-UHFFFAOYSA-N
XLogP-0.11
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-imidazol-1-ylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(1-imidazol-1-ylimidazol-4-yl)ethanamine (CID 175322822) is 2-(1-imidazol-1-ylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-imidazol-1-ylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-imidazol-1-ylimidazol-4-yl)ethanamine is NCCc1cn(-n2ccnc2)cn1.
What is the InChIKey of 2-(1-imidazol-1-ylimidazol-4-yl)ethanamine?
The InChIKey is LFKKPBFYTYMQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c9-2-1-8-5-13(7-11-8)12-4-3-10-6-12/h3-7H,1-2,9H2.
What are the key properties of 2-(1-imidazol-1-ylimidazol-4-yl)ethanamine?
2-(1-imidazol-1-ylimidazol-4-yl)ethanamine has a molecular weight of 177.21 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-imidazol-1-ylimidazol-4-yl)ethanamine is sourced from PubChem (CID 175322822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).