2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

C15H13BrFN3 — CID 107598333

IUPAC2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCn1c(CNc2c(F)cccc2Br)nc2ccccc21
InChIInChI=1S/C15H13BrFN3/c1-20-13-8-3-2-7-12(13)19-14(20)9-18-15-10(16)5-4-6-11(15)17/h2-8,18H,9H2,1H3
InChIKeyKZLJWWDAKZAIKN-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.09
Rot. Bonds3

About 2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline

2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (PubChem CID 107598333) has the molecular formula C15H13BrFN3 and a molecular weight of 334.19 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
PubChem CID107598333
Molecular FormulaC15H13BrFN3
Molecular Weight334.19 g/mol
Exact Mass333.03
IUPAC Name2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
SMILESCn1c(CNc2c(F)cccc2Br)nc2ccccc21
InChIInChI=1S/C15H13BrFN3/c1-20-13-8-3-2-7-12(13)19-14(20)9-18-15-10(16)5-4-6-11(15)17/h2-8,18H,9H2,1H3
InChIKeyKZLJWWDAKZAIKN-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

2-bromo-5-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107633206
2-bromo-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6-fluoroaniline
CID 113356631
2-bromo-N-[(1,3-dimethylindol-2-yl)methyl]-6-fluoroaniline
CID 107598490
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809665
2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809672
6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
CID 103825773
2-bromo-6-fluoro-N-(quinolin-2-ylmethyl)aniline
CID 107598456
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 974484
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
2-bromo-5-chloro-4-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 104722911
2-fluoro-6-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107602854

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The IUPAC name of 2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline (CID 107598333) is 2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The canonical SMILES for 2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is Cn1c(CNc2c(F)cccc2Br)nc2ccccc21.
What is the InChIKey of 2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
The InChIKey is KZLJWWDAKZAIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3/c1-20-13-8-3-2-7-12(13)19-14(20)9-18-15-10(16)5-4-6-11(15)17/h2-8,18H,9H2,1H3.
What are the key properties of 2-bromo-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline?
2-bromo-6-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-6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline is sourced from PubChem (CID 107598333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).