ethane;2-ethyl-4-fluoro-1-methylbenzimidazole

C12H17FN2 — CID 176704050

IUPACethane;2-ethyl-4-fluoro-1-methylbenzimidazole
SMILESCC.CCc1nc2c(F)cccc2n1C
InChIInChI=1S/C10H11FN2.C2H6/c1-3-9-12-10-7(11)5-4-6-8(10)13(9)2;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyOASREWKGVSPDLT-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.30
Rot. Bonds1

About ethane;2-ethyl-4-fluoro-1-methylbenzimidazole

ethane;2-ethyl-4-fluoro-1-methylbenzimidazole (PubChem CID 176704050) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is ethane;2-ethyl-4-fluoro-1-methylbenzimidazole.

Molecular Properties

Compound Nameethane;2-ethyl-4-fluoro-1-methylbenzimidazole
PubChem CID176704050
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Nameethane;2-ethyl-4-fluoro-1-methylbenzimidazole
SMILESCC.CCc1nc2c(F)cccc2n1C
InChIInChI=1S/C10H11FN2.C2H6/c1-3-9-12-10-7(11)5-4-6-8(10)13(9)2;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyOASREWKGVSPDLT-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;2,4-diethyl-1-methylbenzimidazole
CID 69090242
N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 63065892
1,1,1-trifluoro-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-2-ol
CID 79873477
2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
CID 114227019
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
2-(chloromethyl)-4-fluoro-1-pentylbenzimidazole
CID 54920921
4-fluoro-1-methyl-2-(piperidin-4-yloxymethyl)benzimidazole
CID 63870568
2-ethyl-4-fluoro-1-pyrrolidin-3-ylbenzimidazole
CID 84796157
2-(chloromethyl)-4-fluoro-1-pentan-3-ylbenzimidazole
CID 60789840
2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80721603
ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357720
(E)-N'-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylbut-1-ene-1,4-diamine
CID 168925062

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-fluoro-1-methylbenzimidazole?
The IUPAC name of ethane;2-ethyl-4-fluoro-1-methylbenzimidazole (CID 176704050) is ethane;2-ethyl-4-fluoro-1-methylbenzimidazole.
What is the SMILES notation for ethane;2-ethyl-4-fluoro-1-methylbenzimidazole?
The canonical SMILES for ethane;2-ethyl-4-fluoro-1-methylbenzimidazole is CC.CCc1nc2c(F)cccc2n1C.
What is the InChIKey of ethane;2-ethyl-4-fluoro-1-methylbenzimidazole?
The InChIKey is OASREWKGVSPDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2.C2H6/c1-3-9-12-10-7(11)5-4-6-8(10)13(9)2;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-4-fluoro-1-methylbenzimidazole?
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole has a molecular weight of 208.28 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-fluoro-1-methylbenzimidazole is sourced from PubChem (CID 176704050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).