N-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine

C14H10BrF2N3 — CID 141356977

IUPACN-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine
SMILESCn1cnc2c(F)c(Nc3ccc(Br)cc3F)ccc21
InChIInChI=1S/C14H10BrF2N3/c1-20-7-18-14-12(20)5-4-11(13(14)17)19-10-3-2-8(15)6-9(10)16/h2-7,19H,1H3
InChIKeyMSSFSXLCCFHCGT-UHFFFAOYSA-N
MW338.16 g/mol
LogP4.36
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine

N-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine (PubChem CID 141356977) has the molecular formula C14H10BrF2N3 and a molecular weight of 338.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine
PubChem CID141356977
Molecular FormulaC14H10BrF2N3
Molecular Weight338.16 g/mol
Exact Mass337.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine
SMILESCn1cnc2c(F)c(Nc3ccc(Br)cc3F)ccc21
InChIInChI=1S/C14H10BrF2N3/c1-20-7-18-14-12(20)5-4-11(13(14)17)19-10-3-2-8(15)6-9(10)16/h2-7,19H,1H3
InChIKeyMSSFSXLCCFHCGT-UHFFFAOYSA-N
XLogP4.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazole-5-carbaldehyde
CID 21114207
5-[6-(4-bromo-2-fluoroanilino)-7-fluoro-3-methylimidazo[4,5-b]pyridin-5-yl]-1,3,4-oxadiazol-2-amine
CID 11384665
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385485
5-amino-4-(4-bromo-2-fluoroanilino)-1-methylpyridin-2-one
CID 58259896
4-N-(4-bromo-2-fluorophenyl)-6-N-pyridin-4-ylpyrimidine-4,5,6-triamine
CID 22543522
4-(4-bromo-2-fluoroanilino)-3-fluoro-1,5-dimethylpyridin-2-one
CID 90144048
8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
CID 43450170
3-N-(4-bromo-2-fluorophenyl)-4-methylbenzene-1,3-diamine
CID 62590139
4-bromo-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527453
N-(4-bromo-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106556965
4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759361
2-bromo-4-(4-bromo-2-fluoroanilino)-3-fluorobenzonitrile
CID 107533046

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine (CID 141356977) is N-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine is Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)ccc21.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine?
The InChIKey is MSSFSXLCCFHCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3/c1-20-7-18-14-12(20)5-4-11(13(14)17)19-10-3-2-8(15)6-9(10)16/h2-7,19H,1H3.
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine?
N-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine has a molecular weight of 338.16 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-fluoro-1-methylbenzimidazol-5-amine is sourced from PubChem (CID 141356977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).