6-(2,2-dimethylpropyl)-1H-benzimidazole

C12H16N2 — CID 58236536

IUPAC6-(2,2-dimethylpropyl)-1H-benzimidazole
SMILESCC(C)(C)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H16N2/c1-12(2,3)7-9-4-5-10-11(6-9)14-8-13-10/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyRQMDZACYHLJXNS-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.15
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-1H-benzimidazole

6-(2,2-dimethylpropyl)-1H-benzimidazole (PubChem CID 58236536) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-1H-benzimidazole
PubChem CID58236536
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-(2,2-dimethylpropyl)-1H-benzimidazole
SMILESCC(C)(C)Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H16N2/c1-12(2,3)7-9-4-5-10-11(6-9)14-8-13-10/h4-6,8H,7H2,1-3H3,(H,13,14)
InChIKeyRQMDZACYHLJXNS-UHFFFAOYSA-N
XLogP3.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-1H-benzimidazole?
The IUPAC name of 6-(2,2-dimethylpropyl)-1H-benzimidazole (CID 58236536) is 6-(2,2-dimethylpropyl)-1H-benzimidazole.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-1H-benzimidazole?
The canonical SMILES for 6-(2,2-dimethylpropyl)-1H-benzimidazole is CC(C)(C)Cc1ccc2nc[nH]c2c1.
What is the InChIKey of 6-(2,2-dimethylpropyl)-1H-benzimidazole?
The InChIKey is RQMDZACYHLJXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-12(2,3)7-9-4-5-10-11(6-9)14-8-13-10/h4-6,8H,7H2,1-3H3,(H,13,14).
What are the key properties of 6-(2,2-dimethylpropyl)-1H-benzimidazole?
6-(2,2-dimethylpropyl)-1H-benzimidazole has a molecular weight of 188.27 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-1H-benzimidazole is sourced from PubChem (CID 58236536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).