5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline

C11H11BrFN3 — CID 66117863

IUPAC5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
SMILESCn1cncc1CNc1cc(Br)ccc1F
InChIInChI=1S/C11H11BrFN3/c1-16-7-14-5-9(16)6-15-11-4-8(12)2-3-10(11)13/h2-5,7,15H,6H2,1H3
InChIKeyMYVWDKQACZPXAA-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.93
Rot. Bonds3

About 5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline

5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline (PubChem CID 66117863) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
PubChem CID66117863
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
SMILESCn1cncc1CNc1cc(Br)ccc1F
InChIInChI=1S/C11H11BrFN3/c1-16-7-14-5-9(16)6-15-11-4-8(12)2-3-10(11)13/h2-5,7,15H,6H2,1H3
InChIKeyMYVWDKQACZPXAA-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117263
5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62130636
3-fluoro-2-methyl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117080
3-bromo-N-[(3-methylimidazol-4-yl)methyl]aniline;dihydrochloride
CID 154829073
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoroaniline
CID 79579398
4-chloro-3-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66118526
6-fluoro-7-[(3-methylimidazol-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 66116626
1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63379414
N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 66119312
2,4-dibromo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66130335
methyl 2-fluoro-5-[(3-methylimidazol-4-yl)methylamino]benzoate
CID 66118930
4-chloro-N-[(3-methylimidazol-4-yl)methyl]pyridin-3-amine
CID 83166533

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline?
The IUPAC name of 5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline (CID 66117863) is 5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline is Cn1cncc1CNc1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline?
The InChIKey is MYVWDKQACZPXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-16-7-14-5-9(16)6-15-11-4-8(12)2-3-10(11)13/h2-5,7,15H,6H2,1H3.
What are the key properties of 5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline?
5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline has a molecular weight of 284.13 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66117863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).