1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane

C11H18N4 — CID 144504321

IUPAC1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane
SMILESCC.Cc1nc(-c2cncn2C)cn1C
InChIInChI=1S/C9H12N4.C2H6/c1-7-11-8(5-12(7)2)9-4-10-6-13(9)3;1-2/h4-6H,1-3H3;1-2H3
InChIKeyHXPHNSAHACHKKD-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.16
Rot. Bonds1

About 1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane

1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane (PubChem CID 144504321) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane.

Molecular Properties

Compound Name1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane
PubChem CID144504321
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane
SMILESCC.Cc1nc(-c2cncn2C)cn1C
InChIInChI=1S/C9H12N4.C2H6/c1-7-11-8(5-12(7)2)9-4-10-6-13(9)3;1-2/h4-6H,1-3H3;1-2H3
InChIKeyHXPHNSAHACHKKD-UHFFFAOYSA-N
XLogP2.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane?
The IUPAC name of 1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane (CID 144504321) is 1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane.
What is the SMILES notation for 1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane?
The canonical SMILES for 1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane is CC.Cc1nc(-c2cncn2C)cn1C.
What is the InChIKey of 1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane?
The InChIKey is HXPHNSAHACHKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4.C2H6/c1-7-11-8(5-12(7)2)9-4-10-6-13(9)3;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of 1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane?
1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane has a molecular weight of 206.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(3-methylimidazol-4-yl)imidazole;ethane is sourced from PubChem (CID 144504321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).