3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline

C10H9BrFN3 — CID 171673482

IUPAC3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
SMILESFc1c(Br)cccc1NCc1ncc[nH]1
InChIInChI=1S/C10H9BrFN3/c11-7-2-1-3-8(10(7)12)15-6-9-13-4-5-14-9/h1-5,15H,6H2,(H,13,14)
InChIKeyWWHOQNAAZLEZDU-UHFFFAOYSA-N
MW270.11 g/mol
LogP2.92
Rot. Bonds3

About 3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline

3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline (PubChem CID 171673482) has the molecular formula C10H9BrFN3 and a molecular weight of 270.11 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
PubChem CID171673482
Molecular FormulaC10H9BrFN3
Molecular Weight270.11 g/mol
Exact Mass269.00
IUPAC Name3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
SMILESFc1c(Br)cccc1NCc1ncc[nH]1
InChIInChI=1S/C10H9BrFN3/c11-7-2-1-3-8(10(7)12)15-6-9-13-4-5-14-9/h1-5,15H,6H2,(H,13,14)
InChIKeyWWHOQNAAZLEZDU-UHFFFAOYSA-N
XLogP2.92
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.11
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 64547692
3-fluoro-N-(1H-imidazol-2-ylmethyl)-2-nitroaniline
CID 64530894
4-bromo-5-fluoro-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 66112517
N-(1H-imidazol-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 64530697
4-bromo-5-fluoro-N-(1H-imidazol-2-ylmethyl)-2-nitroaniline
CID 66111461
3-ethoxy-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 113392707
N-[3-bromo-4-(1H-imidazol-2-ylmethylamino)phenyl]acetamide
CID 84593207
4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine
CID 64548272
3-chloro-2-fluoro-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64532116
2-[2-(2-bromo-6-fluorophenyl)-2-chloroethyl]-1H-imidazole
CID 114560589
1-(6-bromo-2-pyridinyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 112582414
3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline
CID 54976663

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of 3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline (CID 171673482) is 3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for 3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for 3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline is Fc1c(Br)cccc1NCc1ncc[nH]1.
What is the InChIKey of 3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline?
The InChIKey is WWHOQNAAZLEZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3/c11-7-2-1-3-8(10(7)12)15-6-9-13-4-5-14-9/h1-5,15H,6H2,(H,13,14).
What are the key properties of 3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline?
3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline has a molecular weight of 270.11 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 171673482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).