4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole

C8H9FN2 — CID 145497300

IUPAC4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
SMILESCc1nc2c([nH]1)=CCCC=2F
InChIInChI=1S/C8H9FN2/c1-5-10-7-4-2-3-6(9)8(7)11-5/h4H,2-3H2,1H3,(H,10,11)
InChIKeyPFWQXMLAFKBZMY-UHFFFAOYSA-N
MW152.17 g/mol
LogP0.37
Rot. Bonds

About 4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole

4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole (PubChem CID 145497300) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
PubChem CID145497300
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole
SMILESCc1nc2c([nH]1)=CCCC=2F
InChIInChI=1S/C8H9FN2/c1-5-10-7-4-2-3-6(9)8(7)11-5/h4H,2-3H2,1H3,(H,10,11)
InChIKeyPFWQXMLAFKBZMY-UHFFFAOYSA-N
XLogP0.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole?
The IUPAC name of 4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole (CID 145497300) is 4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole.
What is the SMILES notation for 4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole?
The canonical SMILES for 4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole is Cc1nc2c([nH]1)=CCCC=2F.
What is the InChIKey of 4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole?
The InChIKey is PFWQXMLAFKBZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2/c1-5-10-7-4-2-3-6(9)8(7)11-5/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole?
4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole has a molecular weight of 152.17 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5,6-dihydro-1H-benzimidazole is sourced from PubChem (CID 145497300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).