1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone

C16H16F2N2O — CID 22258198

IUPAC1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone
SMILESCC1CCc2nc(CC(=O)c3ccc(F)cc3F)[nH]c2C1
InChIInChI=1S/C16H16F2N2O/c1-9-2-5-13-14(6-9)20-16(19-13)8-15(21)11-4-3-10(17)7-12(11)18/h3-4,7,9H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyMLDCNKAHKLLCFR-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.24
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone

1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone (PubChem CID 22258198) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone
PubChem CID22258198
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone
SMILESCC1CCc2nc(CC(=O)c3ccc(F)cc3F)[nH]c2C1
InChIInChI=1S/C16H16F2N2O/c1-9-2-5-13-14(6-9)20-16(19-13)8-15(21)11-4-3-10(17)7-12(11)18/h3-4,7,9H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyMLDCNKAHKLLCFR-UHFFFAOYSA-N
XLogP3.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone (CID 22258198) is 1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone is CC1CCc2nc(CC(=O)c3ccc(F)cc3F)[nH]c2C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone?
The InChIKey is MLDCNKAHKLLCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-9-2-5-13-14(6-9)20-16(19-13)8-15(21)11-4-3-10(17)7-12(11)18/h3-4,7,9H,2,5-6,8H2,1H3,(H,19,20).
What are the key properties of 1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone?
1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone has a molecular weight of 290.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(6-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone is sourced from PubChem (CID 22258198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).