1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole

C7H12N4 — CID 90999881

IUPAC1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole
SMILESC1=NCCN1CN1C=NCC1
InChIInChI=1S/C7H12N4/c1-3-10(5-8-1)7-11-4-2-9-6-11/h5-6H,1-4,7H2
InChIKeyZJXICXCNTQYJNT-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.37
Rot. Bonds2

About 1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole

1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole (PubChem CID 90999881) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole
PubChem CID90999881
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole
SMILESC1=NCCN1CN1C=NCC1
InChIInChI=1S/C7H12N4/c1-3-10(5-8-1)7-11-4-2-9-6-11/h5-6H,1-4,7H2
InChIKeyZJXICXCNTQYJNT-UHFFFAOYSA-N
XLogP-0.37
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole (CID 90999881) is 1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole is C1=NCCN1CN1C=NCC1.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole?
The InChIKey is ZJXICXCNTQYJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-10(5-8-1)7-11-4-2-9-6-11/h5-6H,1-4,7H2.
What are the key properties of 1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole?
1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole has a molecular weight of 152.20 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroimidazol-1-ylmethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 90999881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).