4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole

C13H20N4 — CID 71182145

IUPAC4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole
SMILESCC(C)c1nc(-c2cncn2C)cn1C(C)C
InChIInChI=1S/C13H20N4/c1-9(2)13-15-11(7-17(13)10(3)4)12-6-14-8-16(12)5/h6-10H,1-5H3
InChIKeyICFBBIBEWCLYLW-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.99
Rot. Bonds3

About 4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole

4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole (PubChem CID 71182145) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole.

Molecular Properties

Compound Name4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole
PubChem CID71182145
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole
SMILESCC(C)c1nc(-c2cncn2C)cn1C(C)C
InChIInChI=1S/C13H20N4/c1-9(2)13-15-11(7-17(13)10(3)4)12-6-14-8-16(12)5/h6-10H,1-5H3
InChIKeyICFBBIBEWCLYLW-UHFFFAOYSA-N
XLogP2.99
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole?
The IUPAC name of 4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole (CID 71182145) is 4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole.
What is the SMILES notation for 4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole?
The canonical SMILES for 4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole is CC(C)c1nc(-c2cncn2C)cn1C(C)C.
What is the InChIKey of 4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole?
The InChIKey is ICFBBIBEWCLYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9(2)13-15-11(7-17(13)10(3)4)12-6-14-8-16(12)5/h6-10H,1-5H3.
What are the key properties of 4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole?
4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole has a molecular weight of 232.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylimidazol-4-yl)-1,2-di(propan-2-yl)imidazole is sourced from PubChem (CID 71182145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).