5-fluoro-4,7-dimethyl-2H-benzimidazole

C9H9FN2 — CID 130209575

IUPAC5-fluoro-4,7-dimethyl-2H-benzimidazole
SMILESCc1cc(F)c(C)c2c1=NCN=2
InChIInChI=1S/C9H9FN2/c1-5-3-7(10)6(2)9-8(5)11-4-12-9/h3H,4H2,1-2H3
InChIKeyAZVVFQXQKBBYLP-UHFFFAOYSA-N
MW164.18 g/mol
LogP0.65
Rot. Bonds

About 5-fluoro-4,7-dimethyl-2H-benzimidazole

5-fluoro-4,7-dimethyl-2H-benzimidazole (PubChem CID 130209575) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 5-fluoro-4,7-dimethyl-2H-benzimidazole.

Molecular Properties

Compound Name5-fluoro-4,7-dimethyl-2H-benzimidazole
PubChem CID130209575
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name5-fluoro-4,7-dimethyl-2H-benzimidazole
SMILESCc1cc(F)c(C)c2c1=NCN=2
InChIInChI=1S/C9H9FN2/c1-5-3-7(10)6(2)9-8(5)11-4-12-9/h3H,4H2,1-2H3
InChIKeyAZVVFQXQKBBYLP-UHFFFAOYSA-N
XLogP0.65
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Difluoro-2,2,4,7-tetramethylbenzimidazole
CID 117708794
5-fluoro-6-propan-2-yl-2H-benzimidazole
CID 118410732
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
4,5-difluoro-1-N,2-N,3,6-tetramethylcyclohexa-3,5-diene-1,2-diimine
CID 153668949
Methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole
CID 160947057
6-fluoro-4-methyl-2H-benzimidazole
CID 161965286
4-fluoro-1-N,2-N,3,6-tetramethylcyclohexa-3,5-diene-1,2-diimine
CID 170254474
2-(2-Fluoropropan-2-yl)-2-methylbenzimidazole
CID 173118008
2-(Fluoromethyl)-2-methylbenzimidazole
CID 173118032
(6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine
CID 177041111
4-Ethenyl-2,2-dimethylbenzimidazole
CID 20537676
1-N,2-N,3,6-tetramethylcyclohexa-3,5-diene-1,2-diimine
CID 20762110

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4,7-dimethyl-2H-benzimidazole?
The IUPAC name of 5-fluoro-4,7-dimethyl-2H-benzimidazole (CID 130209575) is 5-fluoro-4,7-dimethyl-2H-benzimidazole.
What is the SMILES notation for 5-fluoro-4,7-dimethyl-2H-benzimidazole?
The canonical SMILES for 5-fluoro-4,7-dimethyl-2H-benzimidazole is Cc1cc(F)c(C)c2c1=NCN=2.
What is the InChIKey of 5-fluoro-4,7-dimethyl-2H-benzimidazole?
The InChIKey is AZVVFQXQKBBYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c1-5-3-7(10)6(2)9-8(5)11-4-12-9/h3H,4H2,1-2H3.
What are the key properties of 5-fluoro-4,7-dimethyl-2H-benzimidazole?
5-fluoro-4,7-dimethyl-2H-benzimidazole has a molecular weight of 164.18 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4,7-dimethyl-2H-benzimidazole is sourced from PubChem (CID 130209575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).