4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole

C9H14N4 — CID 57307929

IUPAC4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole
SMILESCc1c(CC2N=CCN2)ncn1C
InChIInChI=1S/C9H14N4/c1-7-8(12-6-13(7)2)5-9-10-3-4-11-9/h3,6,9,11H,4-5H2,1-2H3
InChIKeyXXFONIJUPCIKOR-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.27
Rot. Bonds2

About 4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole

4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole (PubChem CID 57307929) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole.

Molecular Properties

Compound Name4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole
PubChem CID57307929
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole
SMILESCc1c(CC2N=CCN2)ncn1C
InChIInChI=1S/C9H14N4/c1-7-8(12-6-13(7)2)5-9-10-3-4-11-9/h3,6,9,11H,4-5H2,1-2H3
InChIKeyXXFONIJUPCIKOR-UHFFFAOYSA-N
XLogP0.27
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole?
The IUPAC name of 4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole (CID 57307929) is 4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole.
What is the SMILES notation for 4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole?
The canonical SMILES for 4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole is Cc1c(CC2N=CCN2)ncn1C.
What is the InChIKey of 4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole?
The InChIKey is XXFONIJUPCIKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-7-8(12-6-13(7)2)5-9-10-3-4-11-9/h3,6,9,11H,4-5H2,1-2H3.
What are the key properties of 4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole?
4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole has a molecular weight of 178.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydro-1H-imidazol-2-ylmethyl)-1,5-dimethylimidazole is sourced from PubChem (CID 57307929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).