3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole

C30H19FN2S — CID 156657117

IUPAC3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole
SMILESFc1ccc2c(c1)sc1c(-c3nc4cc5ccccc5cc4n3Cc3ccccc3)cccc12
InChIInChI=1S/C30H19FN2S/c31-22-13-14-23-24-11-6-12-25(29(24)34-28(23)17-22)30-32-26-15-20-9-4-5-10-21(20)16-27(26)33(30)18-19-7-2-1-3-8-19/h1-17H,18H2
InChIKeyRBWXRQNQJKXCKD-UHFFFAOYSA-N
MW458.56 g/mol
LogP8.41
Rot. Bonds3

About 3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole

3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole (PubChem CID 156657117) has the molecular formula C30H19FN2S and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole.

Molecular Properties

Compound Name3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole
PubChem CID156657117
Molecular FormulaC30H19FN2S
Molecular Weight458.56 g/mol
Exact Mass458.13
IUPAC Name3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole
SMILESFc1ccc2c(c1)sc1c(-c3nc4cc5ccccc5cc4n3Cc3ccccc3)cccc12
InChIInChI=1S/C30H19FN2S/c31-22-13-14-23-24-11-6-12-25(29(24)34-28(23)17-22)30-32-26-15-20-9-4-5-10-21(20)16-27(26)33(30)18-19-7-2-1-3-8-19/h1-17H,18H2
InChIKeyRBWXRQNQJKXCKD-UHFFFAOYSA-N
XLogP8.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]-1-(5-fluoro-7-phenylnaphthalen-1-yl)benzimidazole
CID 167356304
2-naphtho[2,3-b][1]benzothiol-4-yl-1-phenylbenzimidazole
CID 170532031
1-[(4-tert-butyl-2-phenylphenyl)methyl]-2-[7-(2,2-dimethylpropyl)dibenzothiophen-4-yl]benzimidazole
CID 167355553
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
[3-[(4-fluorophenyl)methyl]-2-naphthalen-1-ylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 155598874
9-dibenzothiophen-4-yl-8-(2,6-dimethyl-4-phenylphenyl)naphtho[1,2-f]benzimidazole
CID 156657666
2-(2-chloro-3-pyridinyl)-1-[(3-fluorophenyl)methyl]-5,6-dimethylbenzimidazole
CID 1487315
3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline
CID 159945206
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574663
3-benzyl-7-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 46101952
5-bromo-2-[1-[(4-fluorophenyl)methyl]-5-phenylmethoxybenzimidazol-2-yl]phenol
CID 170765429
1-benzyl-6-methoxy-2-(2-methylphenyl)benzimidazole
CID 134083766

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole?
The IUPAC name of 3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole (CID 156657117) is 3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole.
What is the SMILES notation for 3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole?
The canonical SMILES for 3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole is Fc1ccc2c(c1)sc1c(-c3nc4cc5ccccc5cc4n3Cc3ccccc3)cccc12.
What is the InChIKey of 3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole?
The InChIKey is RBWXRQNQJKXCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19FN2S/c31-22-13-14-23-24-11-6-12-25(29(24)34-28(23)17-22)30-32-26-15-20-9-4-5-10-21(20)16-27(26)33(30)18-19-7-2-1-3-8-19/h1-17H,18H2.
What are the key properties of 3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole?
3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole has a molecular weight of 458.56 g/mol, XLogP of 8.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(7-fluorodibenzothiophen-4-yl)benzo[f]benzimidazole is sourced from PubChem (CID 156657117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).