6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole

C12H14BrFN2O — CID 138622341

IUPAC6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole
SMILESCCOc1nc2c(F)cc(Br)cc2n1C(C)C
InChIInChI=1S/C12H14BrFN2O/c1-4-17-12-15-11-9(14)5-8(13)6-10(11)16(12)7(2)3/h5-7H,4H2,1-3H3
InChIKeyYXPNFQCSTYQDPX-UHFFFAOYSA-N
MW301.16 g/mol
LogP3.92
Rot. Bonds3

About 6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole

6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole (PubChem CID 138622341) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is 6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole
PubChem CID138622341
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC Name6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole
SMILESCCOc1nc2c(F)cc(Br)cc2n1C(C)C
InChIInChI=1S/C12H14BrFN2O/c1-4-17-12-15-11-9(14)5-8(13)6-10(11)16(12)7(2)3/h5-7H,4H2,1-3H3
InChIKeyYXPNFQCSTYQDPX-UHFFFAOYSA-N
XLogP3.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride
CID 177312133
(6-bromo-4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methoxy-iodophosphane
CID 146232535
7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane
CID 166121068
6-bromo-4-fluoro-2-(oxan-2-yloxymethyl)-1-propan-2-ylbenzimidazole
CID 146219887
6-bromo-4-fluoro-1,2-dimethylbenzimidazole
CID 146232538
tert-butyl N-[(2R)-2-(6-bromo-4-fluoro-2-methylbenzimidazol-1-yl)propyl]carbamate
CID 153446305
6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-yl-2-propan-2-yloxybenzimidazole
CID 138622320
(4R)-5-[4-(6-bromo-4-fluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxy-4-methylpentan-2-one
CID 159763849
(1S)-1-(6-bromo-1-tert-butyl-4-fluorobenzimidazol-2-yl)ethanol
CID 146219945
3-(4-bromo-2,6-difluorophenyl)-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 113300114
potassium;N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;deuterio(fluoro)methane;2-methylpropan-2-olate
CID 161399158
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol
CID 177073307

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole?
The IUPAC name of 6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole (CID 138622341) is 6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole?
The canonical SMILES for 6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole is CCOc1nc2c(F)cc(Br)cc2n1C(C)C.
What is the InChIKey of 6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole?
The InChIKey is YXPNFQCSTYQDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c1-4-17-12-15-11-9(14)5-8(13)6-10(11)16(12)7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole?
6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole has a molecular weight of 301.16 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethoxy-4-fluoro-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 138622341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).