1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole

C16H14F2N2 — CID 116790662

IUPAC1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1CC(F)(F)c1ccccc1
InChIInChI=1S/C16H14F2N2/c1-12-19-14-9-5-6-10-15(14)20(12)11-16(17,18)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyOFGFZTLODJHHEE-UHFFFAOYSA-N
MW272.30 g/mol
LogP4.14
Rot. Bonds3

About 1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole

1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole (PubChem CID 116790662) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole
PubChem CID116790662
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1CC(F)(F)c1ccccc1
InChIInChI=1S/C16H14F2N2/c1-12-19-14-9-5-6-10-15(14)20(12)11-16(17,18)13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyOFGFZTLODJHHEE-UHFFFAOYSA-N
XLogP4.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropyl)-2-methylbenzimidazole
CID 21060284
2-methyl-1-(2-methylbenzimidazol-1-yl)propan-2-amine
CID 82144523
1-(3-bromo-2,2-dimethylpropyl)-2-methylbenzimidazole
CID 64994591
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
CID 37210944
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 112651453

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole (CID 116790662) is 1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole is Cc1nc2ccccc2n1CC(F)(F)c1ccccc1.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole?
The InChIKey is OFGFZTLODJHHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2/c1-12-19-14-9-5-6-10-15(14)20(12)11-16(17,18)13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole?
1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole has a molecular weight of 272.30 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole is sourced from PubChem (CID 116790662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).