4-(3-fluorophenyl)-2-methyl-1H-benzimidazole

C14H11FN2 — CID 70914004

IUPAC4-(3-fluorophenyl)-2-methyl-1H-benzimidazole
SMILESCc1nc2c(-c3cccc(F)c3)cccc2[nH]1
InChIInChI=1S/C14H11FN2/c1-9-16-13-7-3-6-12(14(13)17-9)10-4-2-5-11(15)8-10/h2-8H,1H3,(H,16,17)
InChIKeyVTSGEGYXQTWCNF-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.68
Rot. Bonds1

About 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole

4-(3-fluorophenyl)-2-methyl-1H-benzimidazole (PubChem CID 70914004) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-methyl-1H-benzimidazole
PubChem CID70914004
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name4-(3-fluorophenyl)-2-methyl-1H-benzimidazole
SMILESCc1nc2c(-c3cccc(F)c3)cccc2[nH]1
InChIInChI=1S/C14H11FN2/c1-9-16-13-7-3-6-12(14(13)17-9)10-4-2-5-11(15)8-10/h2-8H,1H3,(H,16,17)
InChIKeyVTSGEGYXQTWCNF-UHFFFAOYSA-N
XLogP3.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole?
The IUPAC name of 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole (CID 70914004) is 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole.
What is the SMILES notation for 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole?
The canonical SMILES for 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole is Cc1nc2c(-c3cccc(F)c3)cccc2[nH]1.
What is the InChIKey of 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole?
The InChIKey is VTSGEGYXQTWCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c1-9-16-13-7-3-6-12(14(13)17-9)10-4-2-5-11(15)8-10/h2-8H,1H3,(H,16,17).
What are the key properties of 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole?
4-(3-fluorophenyl)-2-methyl-1H-benzimidazole has a molecular weight of 226.25 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-methyl-1H-benzimidazole is sourced from PubChem (CID 70914004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).