2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

C15H13BrFN3 — CID 107633206

IUPAC2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCn1c(CNc2cc(F)ccc2Br)nc2ccccc21
InChIInChI=1S/C15H13BrFN3/c1-20-14-5-3-2-4-12(14)19-15(20)9-18-13-8-10(17)6-7-11(13)16/h2-8,18H,9H2,1H3
InChIKeyGLJLZNCLAKKVFH-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.09
Rot. Bonds3

About 2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (PubChem CID 107633206) has the molecular formula C15H13BrFN3 and a molecular weight of 334.19 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
PubChem CID107633206
Molecular FormulaC15H13BrFN3
Molecular Weight334.19 g/mol
Exact Mass333.03
IUPAC Name2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCn1c(CNc2cc(F)ccc2Br)nc2ccccc21
InChIInChI=1S/C15H13BrFN3/c1-20-14-5-3-2-4-12(14)19-15(20)9-18-13-8-10(17)6-7-11(13)16/h2-8,18H,9H2,1H3
InChIKeyGLJLZNCLAKKVFH-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(2-methoxyethoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 75385212
2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 104722911
2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107598333
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
CID 103825773
2-bromo-N-[(1,3-dimethylindol-2-yl)methyl]-5-fluoroaniline
CID 107633360
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808
5-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83130766
4-fluoro-2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 83129949
N-[(5-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772670
4-chloro-2-[(1-methylbenzimidazol-2-yl)methylamino]benzonitrile
CID 63756412
2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
CID 107679286

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (CID 107633206) is 2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is Cn1c(CNc2cc(F)ccc2Br)nc2ccccc21.
What is the InChIKey of 2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is GLJLZNCLAKKVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3/c1-20-14-5-3-2-4-12(14)19-15(20)9-18-13-8-10(17)6-7-11(13)16/h2-8,18H,9H2,1H3.
What are the key properties of 2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline has a molecular weight of 334.19 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 107633206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).