3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole

C7H12N4 — CID 90963591

IUPAC3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole
SMILESC1=NCN(CN2CC=NC2)C1
InChIInChI=1S/C7H12N4/c1-3-10(5-8-1)7-11-4-2-9-6-11/h1-2H,3-7H2
InChIKeySKNDGNMGZNZZKN-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.37
Rot. Bonds2

About 3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole

3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole (PubChem CID 90963591) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole.

Molecular Properties

Compound Name3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole
PubChem CID90963591
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole
SMILESC1=NCN(CN2CC=NC2)C1
InChIInChI=1S/C7H12N4/c1-3-10(5-8-1)7-11-4-2-9-6-11/h1-2H,3-7H2
InChIKeySKNDGNMGZNZZKN-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 3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole?
The IUPAC name of 3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole (CID 90963591) is 3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole.
What is the SMILES notation for 3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole?
The canonical SMILES for 3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole is C1=NCN(CN2CC=NC2)C1.
What is the InChIKey of 3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole?
The InChIKey is SKNDGNMGZNZZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-3-10(5-8-1)7-11-4-2-9-6-11/h1-2H,3-7H2.
What are the key properties of 3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole?
3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-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 3-(2,4-dihydroimidazol-3-ylmethyl)-2,4-dihydroimidazole is sourced from PubChem (CID 90963591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).