2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole

C16H14F2N2 — CID 115911936

IUPAC2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole
SMILESCc1ccc(C)c(Cc2nc3c(F)c(F)ccc3[nH]2)c1
InChIInChI=1S/C16H14F2N2/c1-9-3-4-10(2)11(7-9)8-14-19-13-6-5-12(17)15(18)16(13)20-14/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyANWJIAMONLNFAO-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.05
Rot. Bonds2

About 2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole

2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole (PubChem CID 115911936) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole
PubChem CID115911936
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole
SMILESCc1ccc(C)c(Cc2nc3c(F)c(F)ccc3[nH]2)c1
InChIInChI=1S/C16H14F2N2/c1-9-3-4-10(2)11(7-9)8-14-19-13-6-5-12(17)15(18)16(13)20-14/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyANWJIAMONLNFAO-UHFFFAOYSA-N
XLogP4.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-[(2,5-dimethylphenyl)methyl]-6-fluoro-1H-benzimidazole
CID 79631232
4-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]phenol
CID 112556656
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
CID 62537868
4,5-difluoro-2-[2-(3-methylphenoxy)ethyl]-1H-benzimidazole
CID 115911909
4,5-difluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 115911920
1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine
CID 83857791
2-(cyclopropylmethyl)-4,5-difluoro-1H-benzimidazole
CID 112556693
2-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556617
4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole
CID 112556805
2-(4-chlorobutyl)-4,5-difluoro-1H-benzimidazole
CID 112556642
2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
CID 60973900
N-[2-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 110477254

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole (CID 115911936) is 2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole is Cc1ccc(C)c(Cc2nc3c(F)c(F)ccc3[nH]2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole?
The InChIKey is ANWJIAMONLNFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2/c1-9-3-4-10(2)11(7-9)8-14-19-13-6-5-12(17)15(18)16(13)20-14/h3-7H,8H2,1-2H3,(H,19,20).
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole?
2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole has a molecular weight of 272.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole is sourced from PubChem (CID 115911936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).