4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline

C11H11ClFN3 — CID 62743265

IUPAC4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2ccc(Cl)cc2F)[nH]1
InChIInChI=1S/C11H11ClFN3/c1-7-14-5-9(16-7)6-15-11-3-2-8(12)4-10(11)13/h2-5,15H,6H2,1H3,(H,14,16)
InChIKeyOJAYWFNOQJMVKZ-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.12
Rot. Bonds3

About 4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline

4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline (PubChem CID 62743265) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
PubChem CID62743265
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2ccc(Cl)cc2F)[nH]1
InChIInChI=1S/C11H11ClFN3/c1-7-14-5-9(16-7)6-15-11-3-2-8(12)4-10(11)13/h2-5,15H,6H2,1H3,(H,14,16)
InChIKeyOJAYWFNOQJMVKZ-UHFFFAOYSA-N
XLogP3.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 62742684
5-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 62742338
4-chloro-N-[(3,5-dimethylphenyl)methyl]-2-fluoroaniline
CID 55026237
4-chloro-2-fluoro-N-[(4-methylphenyl)methyl]aniline
CID 43229744
4-chloro-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzamide
CID 62741784
[5-bromo-2-[(2-methyl-1H-imidazol-5-yl)methylamino]phenyl]methanol
CID 146106531
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645041
N,4-dimethyl-3-[(2-methyl-1H-imidazol-5-yl)methylamino]benzenesulfonamide
CID 62743098
4-chloro-2-fluoro-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66117263
3-bromo-2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 103818303
4-chloro-N-[(3,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 60789911

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The IUPAC name of 4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline (CID 62743265) is 4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The canonical SMILES for 4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline is Cc1ncc(CNc2ccc(Cl)cc2F)[nH]1.
What is the InChIKey of 4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
The InChIKey is OJAYWFNOQJMVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-7-14-5-9(16-7)6-15-11-3-2-8(12)4-10(11)13/h2-5,15H,6H2,1H3,(H,14,16).
What are the key properties of 4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline?
4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline has a molecular weight of 239.68 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline is sourced from PubChem (CID 62743265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).