6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane

C12H16ClFN2 — CID 162382422

IUPAC6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane
SMILESCC.CCn1cnc2cc(C)c(Cl)c(F)c21
InChIInChI=1S/C10H10ClFN2.C2H6/c1-3-14-5-13-7-4-6(2)8(11)9(12)10(7)14;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyOHMDGMZPTXPCDT-UHFFFAOYSA-N
MW242.72 g/mol
LogP4.18
Rot. Bonds1

About 6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane

6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane (PubChem CID 162382422) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane.

Molecular Properties

Compound Name6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane
PubChem CID162382422
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane
SMILESCC.CCn1cnc2cc(C)c(Cl)c(F)c21
InChIInChI=1S/C10H10ClFN2.C2H6/c1-3-14-5-13-7-4-6(2)8(11)9(12)10(7)14;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyOHMDGMZPTXPCDT-UHFFFAOYSA-N
XLogP4.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane?
The IUPAC name of 6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane (CID 162382422) is 6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane.
What is the SMILES notation for 6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane?
The canonical SMILES for 6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane is CC.CCn1cnc2cc(C)c(Cl)c(F)c21.
What is the InChIKey of 6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane?
The InChIKey is OHMDGMZPTXPCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2.C2H6/c1-3-14-5-13-7-4-6(2)8(11)9(12)10(7)14;1-2/h4-5H,3H2,1-2H3;1-2H3.
What are the key properties of 6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane?
6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane has a molecular weight of 242.72 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-7-fluoro-5-methylbenzimidazole;ethane is sourced from PubChem (CID 162382422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).