5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole

C13H18N2 — CID 59568708

IUPAC5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole
SMILESCC(C)C(C)(C)c1ccc2c(c1)=NCN=2
InChIInChI=1S/C13H18N2/c1-9(2)13(3,4)10-5-6-11-12(7-10)15-8-14-11/h5-7,9H,8H2,1-4H3
InChIKeyKGSOMQWTMSTCIX-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.83
Rot. Bonds2

About 5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole

5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole (PubChem CID 59568708) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole.

Molecular Properties

Compound Name5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole
PubChem CID59568708
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole
SMILESCC(C)C(C)(C)c1ccc2c(c1)=NCN=2
InChIInChI=1S/C13H18N2/c1-9(2)13(3,4)10-5-6-11-12(7-10)15-8-14-11/h5-7,9H,8H2,1-4H3
InChIKeyKGSOMQWTMSTCIX-UHFFFAOYSA-N
XLogP1.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole?
The IUPAC name of 5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole (CID 59568708) is 5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole.
What is the SMILES notation for 5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole?
The canonical SMILES for 5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole is CC(C)C(C)(C)c1ccc2c(c1)=NCN=2.
What is the InChIKey of 5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole?
The InChIKey is KGSOMQWTMSTCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9(2)13(3,4)10-5-6-11-12(7-10)15-8-14-11/h5-7,9H,8H2,1-4H3.
What are the key properties of 5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole?
5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole has a molecular weight of 202.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylbutan-2-yl)-2H-benzimidazole is sourced from PubChem (CID 59568708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).