ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole

C13H23FN2 — CID 162382189

IUPACethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole
SMILESCC.CC.Cc1cc2c(cc1F)N(C)CN2
InChIInChI=1S/C9H11FN2.2C2H6/c1-6-3-8-9(4-7(6)10)12(2)5-11-8;2*1-2/h3-4,11H,5H2,1-2H3;2*1-2H3
InChIKeyAOQHJIWBTXABCJ-UHFFFAOYSA-N
MW226.34 g/mol
LogP4.01
Rot. Bonds

About ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole

ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole (PubChem CID 162382189) has the molecular formula C13H23FN2 and a molecular weight of 226.34 g/mol. Its IUPAC name is ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Nameethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole
PubChem CID162382189
Molecular FormulaC13H23FN2
Molecular Weight226.34 g/mol
Exact Mass226.18
IUPAC Nameethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole
SMILESCC.CC.Cc1cc2c(cc1F)N(C)CN2
InChIInChI=1S/C9H11FN2.2C2H6/c1-6-3-8-9(4-7(6)10)12(2)5-11-8;2*1-2/h3-4,11H,5H2,1-2H3;2*1-2H3
InChIKeyAOQHJIWBTXABCJ-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-fluoro-6-methyl-3-(oxetan-3-yl)-1,2-dihydrobenzimidazole
CID 162380916
6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline
CID 103594535
3-methyl-6-phenyl-1,2-dihydrobenzimidazole
CID 146504738
4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen
CID 168904210
4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline
CID 103594586
ethane;5-fluoro-2,6-dimethylisoindole-1,3-dione
CID 169161651
5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 103594537
7-bromo-8-fluoro-5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 83825733
6-fluoro-5-methyl-3H-1,2,3-benzodioxazole
CID 145266889
3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 162381782
7-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 70470172
(2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine
CID 176723386

Frequently Asked Questions

What is the IUPAC name of ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole?
The IUPAC name of ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole (CID 162382189) is ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole.
What is the SMILES notation for ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole?
The canonical SMILES for ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole is CC.CC.Cc1cc2c(cc1F)N(C)CN2.
What is the InChIKey of ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole?
The InChIKey is AOQHJIWBTXABCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2.2C2H6/c1-6-3-8-9(4-7(6)10)12(2)5-11-8;2*1-2/h3-4,11H,5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole?
ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole has a molecular weight of 226.34 g/mol, XLogP of 4.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 162382189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).