1-ethyl-6-fluoro-2,5-dimethylbenzimidazole

C11H13FN2 — CID 162381509

IUPAC1-ethyl-6-fluoro-2,5-dimethylbenzimidazole
SMILESCCn1c(C)nc2cc(C)c(F)cc21
InChIInChI=1S/C11H13FN2/c1-4-14-8(3)13-10-5-7(2)9(12)6-11(10)14/h5-6H,4H2,1-3H3
InChIKeySHOJPLCQBDQAPS-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.81
Rot. Bonds1

About 1-ethyl-6-fluoro-2,5-dimethylbenzimidazole

1-ethyl-6-fluoro-2,5-dimethylbenzimidazole (PubChem CID 162381509) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-2,5-dimethylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-6-fluoro-2,5-dimethylbenzimidazole
PubChem CID162381509
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name1-ethyl-6-fluoro-2,5-dimethylbenzimidazole
SMILESCCn1c(C)nc2cc(C)c(F)cc21
InChIInChI=1S/C11H13FN2/c1-4-14-8(3)13-10-5-7(2)9(12)6-11(10)14/h5-6H,4H2,1-3H3
InChIKeySHOJPLCQBDQAPS-UHFFFAOYSA-N
XLogP2.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-1-ethyl-5-fluoro-2-methylbenzimidazole
CID 144859184
6-fluoro-1,2,5-trimethylbenzimidazole
CID 123239325
2,5,6-trimethyl-1-propylbenzimidazole
CID 23609987
1-ethyl-5,6-difluorobenzimidazol-2-amine
CID 82359171
2-(5,6-difluoro-2-methylbenzimidazol-1-yl)ethanethioamide
CID 82149925
1-ethyl-5,6-difluoro-2-propan-2-ylbenzimidazole
CID 147971744
1-ethyl-2-methylimidazo[4,5-b]acridine
CID 89386327
1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
CID 82493448
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-oxoacetic acid
CID 82495640
1-ethyl-2-methyl-5-phenylbenzimidazole
CID 746920
2-(1-ethyl-2-methylbenzimidazol-5-yl)ethanol
CID 82491893
1-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropan-2-amine
CID 82495604

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-2,5-dimethylbenzimidazole?
The IUPAC name of 1-ethyl-6-fluoro-2,5-dimethylbenzimidazole (CID 162381509) is 1-ethyl-6-fluoro-2,5-dimethylbenzimidazole.
What is the SMILES notation for 1-ethyl-6-fluoro-2,5-dimethylbenzimidazole?
The canonical SMILES for 1-ethyl-6-fluoro-2,5-dimethylbenzimidazole is CCn1c(C)nc2cc(C)c(F)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-2,5-dimethylbenzimidazole?
The InChIKey is SHOJPLCQBDQAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-4-14-8(3)13-10-5-7(2)9(12)6-11(10)14/h5-6H,4H2,1-3H3.
What are the key properties of 1-ethyl-6-fluoro-2,5-dimethylbenzimidazole?
1-ethyl-6-fluoro-2,5-dimethylbenzimidazole has a molecular weight of 192.24 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-2,5-dimethylbenzimidazole is sourced from PubChem (CID 162381509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).