2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole

C11H15N3 — CID 59534211

IUPAC2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole
SMILESCC(C)C1=CC2=NC(C(C)C)=NC2=N1
InChIInChI=1S/C11H15N3/c1-6(2)8-5-9-11(12-8)14-10(13-9)7(3)4/h5-7H,1-4H3
InChIKeyYWHNCKGAJVPFDP-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.45
Rot. Bonds2

About 2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole

2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole (PubChem CID 59534211) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole.

Molecular Properties

Compound Name2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole
PubChem CID59534211
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole
SMILESCC(C)C1=CC2=NC(C(C)C)=NC2=N1
InChIInChI=1S/C11H15N3/c1-6(2)8-5-9-11(12-8)14-10(13-9)7(3)4/h5-7H,1-4H3
InChIKeyYWHNCKGAJVPFDP-UHFFFAOYSA-N
XLogP2.45
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole?
The IUPAC name of 2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole (CID 59534211) is 2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole.
What is the SMILES notation for 2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole?
The canonical SMILES for 2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole is CC(C)C1=CC2=NC(C(C)C)=NC2=N1.
What is the InChIKey of 2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole?
The InChIKey is YWHNCKGAJVPFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-6(2)8-5-9-11(12-8)14-10(13-9)7(3)4/h5-7H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole?
2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole has a molecular weight of 189.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)pyrrolo[2,3-d]imidazole is sourced from PubChem (CID 59534211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).