2-(2-fluoropropan-2-yl)-2-methylbenzimidazole

C11H13FN2 — CID 173118008

IUPAC2-(2-fluoropropan-2-yl)-2-methylbenzimidazole
SMILESCC(C)(F)C1(C)N=c2ccccc2=N1
InChIInChI=1S/C11H13FN2/c1-10(2,12)11(3)13-8-6-4-5-7-9(8)14-11/h4-7H,1-3H3
InChIKeyKHZMSPQYVAJJON-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.40
Rot. Bonds1

About 2-(2-fluoropropan-2-yl)-2-methylbenzimidazole

2-(2-fluoropropan-2-yl)-2-methylbenzimidazole (PubChem CID 173118008) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-2-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-2-methylbenzimidazole
PubChem CID173118008
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-(2-fluoropropan-2-yl)-2-methylbenzimidazole
SMILESCC(C)(F)C1(C)N=c2ccccc2=N1
InChIInChI=1S/C11H13FN2/c1-10(2,12)11(3)13-8-6-4-5-7-9(8)14-11/h4-7H,1-3H3
InChIKeyKHZMSPQYVAJJON-UHFFFAOYSA-N
XLogP1.40
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-2-methylbenzimidazole?
The IUPAC name of 2-(2-fluoropropan-2-yl)-2-methylbenzimidazole (CID 173118008) is 2-(2-fluoropropan-2-yl)-2-methylbenzimidazole.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-2-methylbenzimidazole?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-2-methylbenzimidazole is CC(C)(F)C1(C)N=c2ccccc2=N1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-2-methylbenzimidazole?
The InChIKey is KHZMSPQYVAJJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-10(2,12)11(3)13-8-6-4-5-7-9(8)14-11/h4-7H,1-3H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-2-methylbenzimidazole?
2-(2-fluoropropan-2-yl)-2-methylbenzimidazole has a molecular weight of 192.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-2-methylbenzimidazole is sourced from PubChem (CID 173118008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).