2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole

C9H10F2N2 — CID 10997708

IUPAC2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole
SMILESCC1(C(F)F)Nc2ccccc2N1
InChIInChI=1S/C9H10F2N2/c1-9(8(10)11)12-6-4-2-3-5-7(6)13-9/h2-5,8,12-13H,1H3
InChIKeyXUMHSRFDTAGUBO-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.51
Rot. Bonds1

About 2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole

2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole (PubChem CID 10997708) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole.

Molecular Properties

Compound Name2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole
PubChem CID10997708
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole
SMILESCC1(C(F)F)Nc2ccccc2N1
InChIInChI=1S/C9H10F2N2/c1-9(8(10)11)12-6-4-2-3-5-7(6)13-9/h2-5,8,12-13H,1H3
InChIKeyXUMHSRFDTAGUBO-UHFFFAOYSA-N
XLogP2.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole?
The IUPAC name of 2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole (CID 10997708) is 2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole.
What is the SMILES notation for 2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole?
The canonical SMILES for 2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole is CC1(C(F)F)Nc2ccccc2N1.
What is the InChIKey of 2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole?
The InChIKey is XUMHSRFDTAGUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2/c1-9(8(10)11)12-6-4-2-3-5-7(6)13-9/h2-5,8,12-13H,1H3.
What are the key properties of 2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole?
2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole has a molecular weight of 184.19 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2-methyl-1,3-dihydrobenzimidazole is sourced from PubChem (CID 10997708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).