ethane;4-fluoro-1-methylbenzimidazole

C10H13FN2 — CID 144723199

IUPACethane;4-fluoro-1-methylbenzimidazole
SMILESCC.Cn1cnc2c(F)cccc21
InChIInChI=1S/C8H7FN2.C2H6/c1-11-5-10-8-6(9)3-2-4-7(8)11;1-2/h2-5H,1H3;1-2H3
InChIKeyLGPMJBJSGGAOMM-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.74
Rot. Bonds

About ethane;4-fluoro-1-methylbenzimidazole

ethane;4-fluoro-1-methylbenzimidazole (PubChem CID 144723199) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is ethane;4-fluoro-1-methylbenzimidazole.

Molecular Properties

Compound Nameethane;4-fluoro-1-methylbenzimidazole
PubChem CID144723199
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Nameethane;4-fluoro-1-methylbenzimidazole
SMILESCC.Cn1cnc2c(F)cccc21
InChIInChI=1S/C8H7FN2.C2H6/c1-11-5-10-8-6(9)3-2-4-7(8)11;1-2/h2-5H,1H3;1-2H3
InChIKeyLGPMJBJSGGAOMM-UHFFFAOYSA-N
XLogP2.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-1-methylbenzimidazole
CID 20620201
4-isocyano-1-methylbenzimidazole
CID 171459583
4-(isocyanomethyl)-1-methylbenzimidazole
CID 83481259
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
4-fluoro-1-(6-prop-1-en-2-yl-2-pyridinyl)benzimidazole
CID 118332649
3-methylimidazo[4,5-f]quinoxaline
CID 45078085
3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine
CID 63262129
1,3-bis[(1-methylbenzimidazol-4-yl)sulfanyl]urea
CID 87944468
ethane;4-fluoro-2,3-dihydro-1-benzothiophene 1-oxide;1-methylbenzimidazole
CID 171501747
1,5-dimethylimidazo[4,5-c]pyridin-4-one
CID 14148531
CID 172839062
CID 172839062

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-1-methylbenzimidazole?
The IUPAC name of ethane;4-fluoro-1-methylbenzimidazole (CID 144723199) is ethane;4-fluoro-1-methylbenzimidazole.
What is the SMILES notation for ethane;4-fluoro-1-methylbenzimidazole?
The canonical SMILES for ethane;4-fluoro-1-methylbenzimidazole is CC.Cn1cnc2c(F)cccc21.
What is the InChIKey of ethane;4-fluoro-1-methylbenzimidazole?
The InChIKey is LGPMJBJSGGAOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2.C2H6/c1-11-5-10-8-6(9)3-2-4-7(8)11;1-2/h2-5H,1H3;1-2H3.
What are the key properties of ethane;4-fluoro-1-methylbenzimidazole?
ethane;4-fluoro-1-methylbenzimidazole has a molecular weight of 180.23 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-1-methylbenzimidazole is sourced from PubChem (CID 144723199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).