2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole

C16H15FN2 — CID 64722128

IUPAC2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole
SMILESCc1ccc(Cc2nc3c(F)cccc3[nH]2)cc1C
InChIInChI=1S/C16H15FN2/c1-10-6-7-12(8-11(10)2)9-15-18-14-5-3-4-13(17)16(14)19-15/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyIPSAUVYVOQLOBS-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.91
Rot. Bonds2

About 2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole

2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole (PubChem CID 64722128) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole
PubChem CID64722128
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole
SMILESCc1ccc(Cc2nc3c(F)cccc3[nH]2)cc1C
InChIInChI=1S/C16H15FN2/c1-10-6-7-12(8-11(10)2)9-15-18-14-5-3-4-13(17)16(14)19-15/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyIPSAUVYVOQLOBS-UHFFFAOYSA-N
XLogP3.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole?
The IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole (CID 64722128) is 2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole is Cc1ccc(Cc2nc3c(F)cccc3[nH]2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole?
The InChIKey is IPSAUVYVOQLOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-10-6-7-12(8-11(10)2)9-15-18-14-5-3-4-13(17)16(14)19-15/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole?
2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole has a molecular weight of 254.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methyl]-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 64722128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).