6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole

C23H23FN2 — CID 68774870

IUPAC6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole
SMILESCc1cccc(C)c1-c1ccc2nc(C=CC3CC=C(F)CC3)[nH]c2c1
InChIInChI=1S/C23H23FN2/c1-15-4-3-5-16(2)23(15)18-9-12-20-21(14-18)26-22(25-20)13-8-17-6-10-19(24)11-7-17/h3-5,8-10,12-14,17H,6-7,11H2,1-2H3,(H,25,26)
InChIKeyAMJGJEMTPIBRRM-UHFFFAOYSA-N
MW346.45 g/mol
LogP6.51
Rot. Bonds3

About 6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole

6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole (PubChem CID 68774870) has the molecular formula C23H23FN2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole
PubChem CID68774870
Molecular FormulaC23H23FN2
Molecular Weight346.45 g/mol
Exact Mass346.18
IUPAC Name6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole
SMILESCc1cccc(C)c1-c1ccc2nc(C=CC3CC=C(F)CC3)[nH]c2c1
InChIInChI=1S/C23H23FN2/c1-15-4-3-5-16(2)23(15)18-9-12-20-21(14-18)26-22(25-20)13-8-17-6-10-19(24)11-7-17/h3-5,8-10,12-14,17H,6-7,11H2,1-2H3,(H,25,26)
InChIKeyAMJGJEMTPIBRRM-UHFFFAOYSA-N
XLogP6.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole?
The IUPAC name of 6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole (CID 68774870) is 6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole.
What is the SMILES notation for 6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole?
The canonical SMILES for 6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole is Cc1cccc(C)c1-c1ccc2nc(C=CC3CC=C(F)CC3)[nH]c2c1.
What is the InChIKey of 6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole?
The InChIKey is AMJGJEMTPIBRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2/c1-15-4-3-5-16(2)23(15)18-9-12-20-21(14-18)26-22(25-20)13-8-17-6-10-19(24)11-7-17/h3-5,8-10,12-14,17H,6-7,11H2,1-2H3,(H,25,26).
What are the key properties of 6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole?
6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole has a molecular weight of 346.45 g/mol, XLogP of 6.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenyl)-2-[2-(4-fluorocyclohex-3-en-1-yl)ethenyl]-1H-benzimidazole is sourced from PubChem (CID 68774870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).