1-(2-imidazol-1-ylpropan-2-yl)imidazole

C9H12N4 — CID 3007429

IUPAC1-(2-imidazol-1-ylpropan-2-yl)imidazole
SMILESCC(C)(n1ccnc1)n1ccnc1
InChIInChI=1S/C9H12N4/c1-9(2,12-5-3-10-7-12)13-6-4-11-8-13/h3-8H,1-2H3
InChIKeyLGCCYEOIBJLOLE-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.32
Rot. Bonds2

About 1-(2-imidazol-1-ylpropan-2-yl)imidazole

1-(2-imidazol-1-ylpropan-2-yl)imidazole (PubChem CID 3007429) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylpropan-2-yl)imidazole.

Molecular Properties

Compound Name1-(2-imidazol-1-ylpropan-2-yl)imidazole
PubChem CID3007429
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-(2-imidazol-1-ylpropan-2-yl)imidazole
SMILESCC(C)(n1ccnc1)n1ccnc1
InChIInChI=1S/C9H12N4/c1-9(2,12-5-3-10-7-12)13-6-4-11-8-13/h3-8H,1-2H3
InChIKeyLGCCYEOIBJLOLE-UHFFFAOYSA-N
XLogP1.32
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylpropan-2-yl)imidazole?
The IUPAC name of 1-(2-imidazol-1-ylpropan-2-yl)imidazole (CID 3007429) is 1-(2-imidazol-1-ylpropan-2-yl)imidazole.
What is the SMILES notation for 1-(2-imidazol-1-ylpropan-2-yl)imidazole?
The canonical SMILES for 1-(2-imidazol-1-ylpropan-2-yl)imidazole is CC(C)(n1ccnc1)n1ccnc1.
What is the InChIKey of 1-(2-imidazol-1-ylpropan-2-yl)imidazole?
The InChIKey is LGCCYEOIBJLOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-9(2,12-5-3-10-7-12)13-6-4-11-8-13/h3-8H,1-2H3.
What are the key properties of 1-(2-imidazol-1-ylpropan-2-yl)imidazole?
1-(2-imidazol-1-ylpropan-2-yl)imidazole has a molecular weight of 176.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylpropan-2-yl)imidazole is sourced from PubChem (CID 3007429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).