6-fluoro-1,2,5-trimethylbenzimidazole

C10H11FN2 — CID 123239325

IUPAC6-fluoro-1,2,5-trimethylbenzimidazole
SMILESCc1cc2nc(C)n(C)c2cc1F
InChIInChI=1S/C10H11FN2/c1-6-4-9-10(5-8(6)11)13(3)7(2)12-9/h4-5H,1-3H3
InChIKeyYLOXDADHENVMNV-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.33
Rot. Bonds

About 6-fluoro-1,2,5-trimethylbenzimidazole

6-fluoro-1,2,5-trimethylbenzimidazole (PubChem CID 123239325) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 6-fluoro-1,2,5-trimethylbenzimidazole.

Molecular Properties

Compound Name6-fluoro-1,2,5-trimethylbenzimidazole
PubChem CID123239325
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name6-fluoro-1,2,5-trimethylbenzimidazole
SMILESCc1cc2nc(C)n(C)c2cc1F
InChIInChI=1S/C10H11FN2/c1-6-4-9-10(5-8(6)11)13(3)7(2)12-9/h4-5H,1-3H3
InChIKeyYLOXDADHENVMNV-UHFFFAOYSA-N
XLogP2.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-6-fluoro-2,5-dimethylbenzimidazole
CID 162381509
2-(6-fluoro-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
CID 83857842
ethane;2,3,6-trimethylbenzimidazol-5-ol
CID 168977189
2-[(6-fluoro-1,5-dimethylbenzimidazol-2-yl)amino]acetic acid
CID 83842413
2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole
CID 23572275
5,6-dimethoxy-1,2-dimethylbenzimidazole
CID 67341482
3-fluoro-4,7,8-trimethyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 162381782
6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde
CID 83884178
6-chloro-2,3-dimethylbenzimidazole-5-carbonitrile
CID 171820077
5,6-difluoro-1-methylbenzimidazol-2-amine
CID 82359172
6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole
CID 21329570
6-bromo-1,2-dimethylbenzimidazole
CID 58109509

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2,5-trimethylbenzimidazole?
The IUPAC name of 6-fluoro-1,2,5-trimethylbenzimidazole (CID 123239325) is 6-fluoro-1,2,5-trimethylbenzimidazole.
What is the SMILES notation for 6-fluoro-1,2,5-trimethylbenzimidazole?
The canonical SMILES for 6-fluoro-1,2,5-trimethylbenzimidazole is Cc1cc2nc(C)n(C)c2cc1F.
What is the InChIKey of 6-fluoro-1,2,5-trimethylbenzimidazole?
The InChIKey is YLOXDADHENVMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-6-4-9-10(5-8(6)11)13(3)7(2)12-9/h4-5H,1-3H3.
What are the key properties of 6-fluoro-1,2,5-trimethylbenzimidazole?
6-fluoro-1,2,5-trimethylbenzimidazole has a molecular weight of 178.21 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,2,5-trimethylbenzimidazole is sourced from PubChem (CID 123239325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).