1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole

C12H14F2N2 — CID 147971744

IUPAC1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole
SMILESCCn1c(C(C)C)nc2cc(F)c(F)cc21
InChIInChI=1S/C12H14F2N2/c1-4-16-11-6-9(14)8(13)5-10(11)15-12(16)7(2)3/h5-7H,4H2,1-3H3
InChIKeyIRMALDXVCVDWDQ-UHFFFAOYSA-N
MW224.25 g/mol
LogP3.46
Rot. Bonds2

About 1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole

1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole (PubChem CID 147971744) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole
PubChem CID147971744
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole
SMILESCCn1c(C(C)C)nc2cc(F)c(F)cc21
InChIInChI=1S/C12H14F2N2/c1-4-16-11-6-9(14)8(13)5-10(11)15-12(16)7(2)3/h5-7H,4H2,1-3H3
InChIKeyIRMALDXVCVDWDQ-UHFFFAOYSA-N
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole?
The IUPAC name of 1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole (CID 147971744) is 1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole?
The canonical SMILES for 1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole is CCn1c(C(C)C)nc2cc(F)c(F)cc21.
What is the InChIKey of 1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole?
The InChIKey is IRMALDXVCVDWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c1-4-16-11-6-9(14)8(13)5-10(11)15-12(16)7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole?
1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole has a molecular weight of 224.25 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 147971744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).