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

C17H18F2N2O — CID 22258173

IUPAC1-(2,4-difluorophenyl)-2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone
SMILESCC1Cc2[nH]c(CC(=O)c3ccc(F)cc3F)nc2C(C)C1
InChIInChI=1S/C17H18F2N2O/c1-9-5-10(2)17-14(6-9)20-16(21-17)8-15(22)12-4-3-11(18)7-13(12)19/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,20,21)
InChIKeyRHOFJYFQSXZPMM-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.80
Rot. Bonds3

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

1-(2,4-difluorophenyl)-2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone (PubChem CID 22258173) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone
PubChem CID22258173
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name1-(2,4-difluorophenyl)-2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone
SMILESCC1Cc2[nH]c(CC(=O)c3ccc(F)cc3F)nc2C(C)C1
InChIInChI=1S/C17H18F2N2O/c1-9-5-10(2)17-14(6-9)20-16(21-17)8-15(22)12-4-3-11(18)7-13(12)19/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,20,21)
InChIKeyRHOFJYFQSXZPMM-UHFFFAOYSA-N
XLogP3.80
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.80
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-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone (CID 22258173) is 1-(2,4-difluorophenyl)-2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone is CC1Cc2[nH]c(CC(=O)c3ccc(F)cc3F)nc2C(C)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone?
The InChIKey is RHOFJYFQSXZPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-9-5-10(2)17-14(6-9)20-16(21-17)8-15(22)12-4-3-11(18)7-13(12)19/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,20,21).
What are the key properties of 1-(2,4-difluorophenyl)-2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone?
1-(2,4-difluorophenyl)-2-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone has a molecular weight of 304.34 g/mol, XLogP of 3.80, 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-(4,6-dimethyl-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanone is sourced from PubChem (CID 22258173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).