1-butyl-2-(1-methylimidazol-2-yl)imidazole

C11H16N4 — CID 91333338

IUPAC1-butyl-2-(1-methylimidazol-2-yl)imidazole
SMILESCCCCn1ccnc1-c1nccn1C
InChIInChI=1S/C11H16N4/c1-3-4-7-15-9-6-13-11(15)10-12-5-8-14(10)2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyOZOARBFTYGFWCY-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.08
Rot. Bonds4

About 1-butyl-2-(1-methylimidazol-2-yl)imidazole

1-butyl-2-(1-methylimidazol-2-yl)imidazole (PubChem CID 91333338) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-butyl-2-(1-methylimidazol-2-yl)imidazole.

Molecular Properties

Compound Name1-butyl-2-(1-methylimidazol-2-yl)imidazole
PubChem CID91333338
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-butyl-2-(1-methylimidazol-2-yl)imidazole
SMILESCCCCn1ccnc1-c1nccn1C
InChIInChI=1S/C11H16N4/c1-3-4-7-15-9-6-13-11(15)10-12-5-8-14(10)2/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyOZOARBFTYGFWCY-UHFFFAOYSA-N
XLogP2.08
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(1-methylimidazol-2-yl)imidazole?
The IUPAC name of 1-butyl-2-(1-methylimidazol-2-yl)imidazole (CID 91333338) is 1-butyl-2-(1-methylimidazol-2-yl)imidazole.
What is the SMILES notation for 1-butyl-2-(1-methylimidazol-2-yl)imidazole?
The canonical SMILES for 1-butyl-2-(1-methylimidazol-2-yl)imidazole is CCCCn1ccnc1-c1nccn1C.
What is the InChIKey of 1-butyl-2-(1-methylimidazol-2-yl)imidazole?
The InChIKey is OZOARBFTYGFWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-4-7-15-9-6-13-11(15)10-12-5-8-14(10)2/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 1-butyl-2-(1-methylimidazol-2-yl)imidazole?
1-butyl-2-(1-methylimidazol-2-yl)imidazole has a molecular weight of 204.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(1-methylimidazol-2-yl)imidazole is sourced from PubChem (CID 91333338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).