1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole

C12H20N6 — CID 138649427

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole
SMILESCC(C)C1=NCCN1C1=NCCN1C1=NCCN1
InChIInChI=1S/C12H20N6/c1-9(2)10-13-5-7-17(10)12-16-6-8-18(12)11-14-3-4-15-11/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyRFQCGGUZRLEUGR-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.01
Rot. Bonds1

About 1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole

1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole (PubChem CID 138649427) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole
PubChem CID138649427
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole
SMILESCC(C)C1=NCCN1C1=NCCN1C1=NCCN1
InChIInChI=1S/C12H20N6/c1-9(2)10-13-5-7-17(10)12-16-6-8-18(12)11-14-3-4-15-11/h9H,3-8H2,1-2H3,(H,14,15)
InChIKeyRFQCGGUZRLEUGR-UHFFFAOYSA-N
XLogP-0.01
TPSA55.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole (CID 138649427) is 1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole is CC(C)C1=NCCN1C1=NCCN1C1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole?
The InChIKey is RFQCGGUZRLEUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-9(2)10-13-5-7-17(10)12-16-6-8-18(12)11-14-3-4-15-11/h9H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole?
1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole has a molecular weight of 248.33 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-propan-2-yl-4,5-dihydroimidazol-1-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 138649427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).