6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole

C16H19BrN2 — CID 166898533

IUPAC6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole
SMILESCC(c1nc2ccc(Br)cc2[nH]1)C(C1CC1)C1CC1
InChIInChI=1S/C16H19BrN2/c1-9(15(10-2-3-10)11-4-5-11)16-18-13-7-6-12(17)8-14(13)19-16/h6-11,15H,2-5H2,1H3,(H,18,19)
InChIKeyUCCJSIWTRZDZCP-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.87
Rot. Bonds4

About 6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole

6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole (PubChem CID 166898533) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole
PubChem CID166898533
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole
SMILESCC(c1nc2ccc(Br)cc2[nH]1)C(C1CC1)C1CC1
InChIInChI=1S/C16H19BrN2/c1-9(15(10-2-3-10)11-4-5-11)16-18-13-7-6-12(17)8-14(13)19-16/h6-11,15H,2-5H2,1H3,(H,18,19)
InChIKeyUCCJSIWTRZDZCP-UHFFFAOYSA-N
XLogP4.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole (CID 166898533) is 6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole is CC(c1nc2ccc(Br)cc2[nH]1)C(C1CC1)C1CC1.
What is the InChIKey of 6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole?
The InChIKey is UCCJSIWTRZDZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-9(15(10-2-3-10)11-4-5-11)16-18-13-7-6-12(17)8-14(13)19-16/h6-11,15H,2-5H2,1H3,(H,18,19).
What are the key properties of 6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole?
6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole has a molecular weight of 319.25 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1,1-dicyclopropylpropan-2-yl)-1H-benzimidazole is sourced from PubChem (CID 166898533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).