2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline

C10H8Cl2FN3 — CID 83076307

IUPAC2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCc2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C10H8Cl2FN3/c11-7-3-6(13)4-8(12)10(7)16-5-9-14-1-2-15-9/h1-4,16H,5H2,(H,14,15)
InChIKeyMJOOFMZXYBLLIU-UHFFFAOYSA-N
MW260.10 g/mol
LogP3.47
Rot. Bonds3

About 2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline

2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline (PubChem CID 83076307) has the molecular formula C10H8Cl2FN3 and a molecular weight of 260.10 g/mol. Its IUPAC name is 2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
PubChem CID83076307
Molecular FormulaC10H8Cl2FN3
Molecular Weight260.10 g/mol
Exact Mass259.01
IUPAC Name2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline
SMILESFc1cc(Cl)c(NCc2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C10H8Cl2FN3/c11-7-3-6(13)4-8(12)10(7)16-5-9-14-1-2-15-9/h1-4,16H,5H2,(H,14,15)
InChIKeyMJOOFMZXYBLLIU-UHFFFAOYSA-N
XLogP3.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4,6-difluoro-N-(1H-imidazol-2-ylmethyl)aniline
CID 83081720
2,6-dichloro-4-fluoro-N-(pyrimidin-2-ylmethyl)aniline
CID 83078218
5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine
CID 105369457
3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
CID 64531503
3-chloro-4-(1H-imidazol-2-ylmethylamino)benzonitrile
CID 64532464
2,4,6-trichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402948
3-bromo-5-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
CID 114835941
4-fluoro-N-(1H-imidazol-2-ylmethyl)-3-methylaniline
CID 62809674
2-[(4-fluoro-2,6-dimethylphenyl)methyl]-1H-imidazole
CID 58951735
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-(morpholin-4-ylmethyl)aniline
CID 75520639
2,6-dichloro-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-fluoroaniline
CID 83078879
1-(3,5-difluorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
CID 75389672

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of 2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline (CID 83076307) is 2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for 2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for 2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline is Fc1cc(Cl)c(NCc2ncc[nH]2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline?
The InChIKey is MJOOFMZXYBLLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FN3/c11-7-3-6(13)4-8(12)10(7)16-5-9-14-1-2-15-9/h1-4,16H,5H2,(H,14,15).
What are the key properties of 2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline?
2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline has a molecular weight of 260.10 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-fluoro-N-(1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 83076307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).