6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole

C12H13BrN2 — CID 83154051

IUPAC6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole
SMILESCC(c1nc2ccc(Br)cc2[nH]1)C1CC1
InChIInChI=1S/C12H13BrN2/c1-7(8-2-3-8)12-14-10-5-4-9(13)6-11(10)15-12/h4-8H,2-3H2,1H3,(H,14,15)
InChIKeySWYFWPWAZYSYEZ-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.84
Rot. Bonds2

About 6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole

6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole (PubChem CID 83154051) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole
PubChem CID83154051
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole
SMILESCC(c1nc2ccc(Br)cc2[nH]1)C1CC1
InChIInChI=1S/C12H13BrN2/c1-7(8-2-3-8)12-14-10-5-4-9(13)6-11(10)15-12/h4-8H,2-3H2,1H3,(H,14,15)
InChIKeySWYFWPWAZYSYEZ-UHFFFAOYSA-N
XLogP3.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.84
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-cyclopropylethyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole (CID 83154051) is 6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole is CC(c1nc2ccc(Br)cc2[nH]1)C1CC1.
What is the InChIKey of 6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole?
The InChIKey is SWYFWPWAZYSYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-7(8-2-3-8)12-14-10-5-4-9(13)6-11(10)15-12/h4-8H,2-3H2,1H3,(H,14,15).
What are the key properties of 6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole?
6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole has a molecular weight of 265.15 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-cyclopropylethyl)-1H-benzimidazole is sourced from PubChem (CID 83154051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).