2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole

C21H14F4N2 — CID 70101397

IUPAC2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole
SMILESCc1cc(Cc2c(F)cccc2F)c2nc(-c3c(F)cccc3F)[nH]c2c1
InChIInChI=1S/C21H14F4N2/c1-11-8-12(10-13-14(22)4-2-5-15(13)23)20-18(9-11)26-21(27-20)19-16(24)6-3-7-17(19)25/h2-9H,10H2,1H3,(H,26,27)
InChIKeyICODPBUDCLKEHG-UHFFFAOYSA-N
MW370.35 g/mol
LogP5.69
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole

2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole (PubChem CID 70101397) has the molecular formula C21H14F4N2 and a molecular weight of 370.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole
PubChem CID70101397
Molecular FormulaC21H14F4N2
Molecular Weight370.35 g/mol
Exact Mass370.11
IUPAC Name2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole
SMILESCc1cc(Cc2c(F)cccc2F)c2nc(-c3c(F)cccc3F)[nH]c2c1
InChIInChI=1S/C21H14F4N2/c1-11-8-12(10-13-14(22)4-2-5-15(13)23)20-18(9-11)26-21(27-20)19-16(24)6-3-7-17(19)25/h2-9H,10H2,1H3,(H,26,27)
InChIKeyICODPBUDCLKEHG-UHFFFAOYSA-N
XLogP5.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.35
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole (CID 70101397) is 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole is Cc1cc(Cc2c(F)cccc2F)c2nc(-c3c(F)cccc3F)[nH]c2c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole?
The InChIKey is ICODPBUDCLKEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N2/c1-11-8-12(10-13-14(22)4-2-5-15(13)23)20-18(9-11)26-21(27-20)19-16(24)6-3-7-17(19)25/h2-9H,10H2,1H3,(H,26,27).
What are the key properties of 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole?
2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole has a molecular weight of 370.35 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[(2,6-difluorophenyl)methyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 70101397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).