6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole

C9H7BrF2N2 — CID 112706374

IUPAC6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(C(F)F)nc12
InChIInChI=1S/C9H7BrF2N2/c1-4-2-5(10)3-6-7(4)14-9(13-6)8(11)12/h2-3,8H,1H3,(H,13,14)
InChIKeyNDDWCOOORAYLKB-UHFFFAOYSA-N
MW261.07 g/mol
LogP3.57
Rot. Bonds1

About 6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole

6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole (PubChem CID 112706374) has the molecular formula C9H7BrF2N2 and a molecular weight of 261.07 g/mol. Its IUPAC name is 6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole
PubChem CID112706374
Molecular FormulaC9H7BrF2N2
Molecular Weight261.07 g/mol
Exact Mass259.98
IUPAC Name6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(C(F)F)nc12
InChIInChI=1S/C9H7BrF2N2/c1-4-2-5(10)3-6-7(4)14-9(13-6)8(11)12/h2-3,8H,1H3,(H,13,14)
InChIKeyNDDWCOOORAYLKB-UHFFFAOYSA-N
XLogP3.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole (CID 112706374) is 6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole is Cc1cc(Br)cc2[nH]c(C(F)F)nc12.
What is the InChIKey of 6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole?
The InChIKey is NDDWCOOORAYLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2/c1-4-2-5(10)3-6-7(4)14-9(13-6)8(11)12/h2-3,8H,1H3,(H,13,14).
What are the key properties of 6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole?
6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole has a molecular weight of 261.07 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 112706374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).