4,5-di(propan-2-yl)benzimidazole

C13H16N2 — CID 87228289

IUPAC4,5-di(propan-2-yl)benzimidazole
SMILESCC(C)c1ccc2c(c1C(C)C)N=C=N2
InChIInChI=1S/C13H16N2/c1-8(2)10-5-6-11-13(15-7-14-11)12(10)9(3)4/h5-6,8-9H,1-4H3
InChIKeyJKTQOEXSEMAQBE-UHFFFAOYSA-N
MW200.28 g/mol
LogP4.38
Rot. Bonds2

About 4,5-di(propan-2-yl)benzimidazole

4,5-di(propan-2-yl)benzimidazole (PubChem CID 87228289) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4,5-di(propan-2-yl)benzimidazole.

Molecular Properties

Compound Name4,5-di(propan-2-yl)benzimidazole
PubChem CID87228289
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name4,5-di(propan-2-yl)benzimidazole
SMILESCC(C)c1ccc2c(c1C(C)C)N=C=N2
InChIInChI=1S/C13H16N2/c1-8(2)10-5-6-11-13(15-7-14-11)12(10)9(3)4/h5-6,8-9H,1-4H3
InChIKeyJKTQOEXSEMAQBE-UHFFFAOYSA-N
XLogP4.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(propan-2-yl)benzimidazole?
The IUPAC name of 4,5-di(propan-2-yl)benzimidazole (CID 87228289) is 4,5-di(propan-2-yl)benzimidazole.
What is the SMILES notation for 4,5-di(propan-2-yl)benzimidazole?
The canonical SMILES for 4,5-di(propan-2-yl)benzimidazole is CC(C)c1ccc2c(c1C(C)C)N=C=N2.
What is the InChIKey of 4,5-di(propan-2-yl)benzimidazole?
The InChIKey is JKTQOEXSEMAQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-8(2)10-5-6-11-13(15-7-14-11)12(10)9(3)4/h5-6,8-9H,1-4H3.
What are the key properties of 4,5-di(propan-2-yl)benzimidazole?
4,5-di(propan-2-yl)benzimidazole has a molecular weight of 200.28 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(propan-2-yl)benzimidazole is sourced from PubChem (CID 87228289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).