6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole

C14H12BrFN2 — CID 170319313

IUPAC6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole
SMILESCN1c2ccc(Br)cc2NC1c1cccc(F)c1
InChIInChI=1S/C14H12BrFN2/c1-18-13-6-5-10(15)8-12(13)17-14(18)9-3-2-4-11(16)7-9/h2-8,14,17H,1H3
InChIKeyMSIMIMRROUIIRG-UHFFFAOYSA-N
MW307.17 g/mol
LogP4.15
Rot. Bonds1

About 6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole

6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole (PubChem CID 170319313) has the molecular formula C14H12BrFN2 and a molecular weight of 307.17 g/mol. Its IUPAC name is 6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole
PubChem CID170319313
Molecular FormulaC14H12BrFN2
Molecular Weight307.17 g/mol
Exact Mass306.02
IUPAC Name6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole
SMILESCN1c2ccc(Br)cc2NC1c1cccc(F)c1
InChIInChI=1S/C14H12BrFN2/c1-18-13-6-5-10(15)8-12(13)17-14(18)9-3-2-4-11(16)7-9/h2-8,14,17H,1H3
InChIKeyMSIMIMRROUIIRG-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.17
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole?
The IUPAC name of 6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole (CID 170319313) is 6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole.
What is the SMILES notation for 6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole?
The canonical SMILES for 6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole is CN1c2ccc(Br)cc2NC1c1cccc(F)c1.
What is the InChIKey of 6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole?
The InChIKey is MSIMIMRROUIIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2/c1-18-13-6-5-10(15)8-12(13)17-14(18)9-3-2-4-11(16)7-9/h2-8,14,17H,1H3.
What are the key properties of 6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole?
6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole has a molecular weight of 307.17 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-fluorophenyl)-3-methyl-1,2-dihydrobenzimidazole is sourced from PubChem (CID 170319313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).