4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline

C16H15BrFN3 — CID 61020055

IUPAC4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline
SMILESCCn1c(CNc2ccc(Br)cc2F)nc2ccccc21
InChIInChI=1S/C16H15BrFN3/c1-2-21-15-6-4-3-5-14(15)20-16(21)10-19-13-8-7-11(17)9-12(13)18/h3-9,19H,2,10H2,1H3
InChIKeyYZZVTMWTNWMXGF-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.57
Rot. Bonds4

About 4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline

4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline (PubChem CID 61020055) has the molecular formula C16H15BrFN3 and a molecular weight of 348.22 g/mol. Its IUPAC name is 4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline
PubChem CID61020055
Molecular FormulaC16H15BrFN3
Molecular Weight348.22 g/mol
Exact Mass347.04
IUPAC Name4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline
SMILESCCn1c(CNc2ccc(Br)cc2F)nc2ccccc21
InChIInChI=1S/C16H15BrFN3/c1-2-21-15-6-4-3-5-14(15)20-16(21)10-19-13-8-7-11(17)9-12(13)18/h3-9,19H,2,10H2,1H3
InChIKeyYZZVTMWTNWMXGF-UHFFFAOYSA-N
XLogP4.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 61020848
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103825866
N-[(5-bromo-1-ethylbenzimidazol-2-yl)methyl]-4-chloroaniline
CID 60837375
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-fluoro-4-nitroaniline
CID 133277357
1-[(4-bromo-2-fluorophenyl)methyl]-2-butylbenzimidazole
CID 19806376
3-[(1-ethylbenzimidazol-2-yl)methylamino]benzonitrile
CID 61020625
1-(1-ethylbenzimidazol-2-yl)-2,3,3-trimethylbutan-2-ol
CID 115400992
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135109990
4-bromo-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-fluoroaniline
CID 43524691

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline?
The IUPAC name of 4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline (CID 61020055) is 4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline?
The canonical SMILES for 4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline is CCn1c(CNc2ccc(Br)cc2F)nc2ccccc21.
What is the InChIKey of 4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline?
The InChIKey is YZZVTMWTNWMXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3/c1-2-21-15-6-4-3-5-14(15)20-16(21)10-19-13-8-7-11(17)9-12(13)18/h3-9,19H,2,10H2,1H3.
What are the key properties of 4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline?
4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline has a molecular weight of 348.22 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 61020055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).