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

C14H11FN2 — CID 59018257

IUPAC2-(2-fluorophenyl)-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3ccccc3F)nc12
InChIInChI=1S/C14H11FN2/c1-9-5-4-8-12-13(9)17-14(16-12)10-6-2-3-7-11(10)15/h2-8H,1H3,(H,16,17)
InChIKeyGUBMXVLUWDPKSR-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.68
Rot. Bonds1

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

2-(2-fluorophenyl)-4-methyl-1H-benzimidazole (PubChem CID 59018257) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-methyl-1H-benzimidazole
PubChem CID59018257
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name2-(2-fluorophenyl)-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3ccccc3F)nc12
InChIInChI=1S/C14H11FN2/c1-9-5-4-8-12-13(9)17-14(16-12)10-6-2-3-7-11(10)15/h2-8H,1H3,(H,16,17)
InChIKeyGUBMXVLUWDPKSR-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 2-(2-fluorophenyl)-4-methyl-1H-benzimidazole?
The IUPAC name of 2-(2-fluorophenyl)-4-methyl-1H-benzimidazole (CID 59018257) is 2-(2-fluorophenyl)-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(2-fluorophenyl)-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-(2-fluorophenyl)-4-methyl-1H-benzimidazole is Cc1cccc2[nH]c(-c3ccccc3F)nc12.
What is the InChIKey of 2-(2-fluorophenyl)-4-methyl-1H-benzimidazole?
The InChIKey is GUBMXVLUWDPKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c1-9-5-4-8-12-13(9)17-14(16-12)10-6-2-3-7-11(10)15/h2-8H,1H3,(H,16,17).
What are the key properties of 2-(2-fluorophenyl)-4-methyl-1H-benzimidazole?
2-(2-fluorophenyl)-4-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 2-(2-fluorophenyl)-4-methyl-1H-benzimidazole is sourced from PubChem (CID 59018257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).