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

C12H11ClF3N3 — CID 62742684

IUPAC4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1ncc(CNc2ccc(Cl)cc2C(F)(F)F)[nH]1
InChIInChI=1S/C12H11ClF3N3/c1-7-17-5-9(19-7)6-18-11-3-2-8(13)4-10(11)12(14,15)16/h2-5,18H,6H2,1H3,(H,17,19)
InChIKeyGFVSXASCBRXJPT-UHFFFAOYSA-N
MW289.69 g/mol
LogP4.00
Rot. Bonds3

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

4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 62742684) has the molecular formula C12H11ClF3N3 and a molecular weight of 289.69 g/mol. Its IUPAC name is 4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID62742684
Molecular FormulaC12H11ClF3N3
Molecular Weight289.69 g/mol
Exact Mass289.06
IUPAC Name4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1ncc(CNc2ccc(Cl)cc2C(F)(F)F)[nH]1
InChIInChI=1S/C12H11ClF3N3/c1-7-17-5-9(19-7)6-18-11-3-2-8(13)4-10(11)12(14,15)16/h2-5,18H,6H2,1H3,(H,17,19)
InChIKeyGFVSXASCBRXJPT-UHFFFAOYSA-N
XLogP4.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-fluoro-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62743265
4-chloro-N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 43662296
4-chloro-N-[(2-methylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 29045449
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 79579300
6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol
CID 79775734
4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28548305
4-chloro-N-[(2,5-dimethylphenyl)methyl]-2-(trifluoromethyl)aniline
CID 63419212
N-[(5-bromo-3-pyridinyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 104796648
N-[(2-aminophenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 66385827
N-[(4-bromo-3-methylphenyl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 66473781
4-chloro-N-prop-2-ynyl-2-(trifluoromethyl)aniline
CID 62140302
2,6-difluoro-3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 82818219

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline (CID 62742684) is 4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline is Cc1ncc(CNc2ccc(Cl)cc2C(F)(F)F)[nH]1.
What is the InChIKey of 4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is GFVSXASCBRXJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3/c1-7-17-5-9(19-7)6-18-11-3-2-8(13)4-10(11)12(14,15)16/h2-5,18H,6H2,1H3,(H,17,19).
What are the key properties of 4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline?
4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 289.69 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 62742684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).