5-propan-2-yl-2H-benzimidazole

C10H12N2 — CID 59088172

IUPAC5-propan-2-yl-2H-benzimidazole
SMILESCC(C)c1ccc2c(c1)=NCN=2
InChIInChI=1S/C10H12N2/c1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-5,7H,6H2,1-2H3
InChIKeyXEIZABCDBRPGLD-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.02
Rot. Bonds1

About 5-propan-2-yl-2H-benzimidazole

5-propan-2-yl-2H-benzimidazole (PubChem CID 59088172) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-propan-2-yl-2H-benzimidazole.

Molecular Properties

Compound Name5-propan-2-yl-2H-benzimidazole
PubChem CID59088172
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-propan-2-yl-2H-benzimidazole
SMILESCC(C)c1ccc2c(c1)=NCN=2
InChIInChI=1S/C10H12N2/c1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-5,7H,6H2,1-2H3
InChIKeyXEIZABCDBRPGLD-UHFFFAOYSA-N
XLogP1.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2H-benzimidazole?
The IUPAC name of 5-propan-2-yl-2H-benzimidazole (CID 59088172) is 5-propan-2-yl-2H-benzimidazole.
What is the SMILES notation for 5-propan-2-yl-2H-benzimidazole?
The canonical SMILES for 5-propan-2-yl-2H-benzimidazole is CC(C)c1ccc2c(c1)=NCN=2.
What is the InChIKey of 5-propan-2-yl-2H-benzimidazole?
The InChIKey is XEIZABCDBRPGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7(2)8-3-4-9-10(5-8)12-6-11-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-propan-2-yl-2H-benzimidazole?
5-propan-2-yl-2H-benzimidazole has a molecular weight of 160.22 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2H-benzimidazole is sourced from PubChem (CID 59088172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).