4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline

C12H9ClF3N3 — CID 143860075

IUPAC4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline
SMILESC=C(Nc1ccc(Cl)c(C(F)(F)F)c1)n1ccnc1
InChIInChI=1S/C12H9ClF3N3/c1-8(19-5-4-17-7-19)18-9-2-3-11(13)10(6-9)12(14,15)16/h2-7,18H,1H2
InChIKeyJZQBLMDCHQEJHJ-UHFFFAOYSA-N
MW287.67 g/mol
LogP4.10
Rot. Bonds3

About 4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline

4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline (PubChem CID 143860075) has the molecular formula C12H9ClF3N3 and a molecular weight of 287.67 g/mol. Its IUPAC name is 4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline
PubChem CID143860075
Molecular FormulaC12H9ClF3N3
Molecular Weight287.67 g/mol
Exact Mass287.04
IUPAC Name4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline
SMILESC=C(Nc1ccc(Cl)c(C(F)(F)F)c1)n1ccnc1
InChIInChI=1S/C12H9ClF3N3/c1-8(19-5-4-17-7-19)18-9-2-3-11(13)10(6-9)12(14,15)16/h2-7,18H,1H2
InChIKeyJZQBLMDCHQEJHJ-UHFFFAOYSA-N
XLogP4.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 143860074
1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]thiourea
CID 4763346
1-chloro-4-isocyanato-2-(trifluoromethyl)benzene;N-[4-chloro-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide;3H-pyrrole
CID 160740610
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
CID 23155082
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11476057
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-pyridin-4-ylanilino)urea
CID 59708654
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-ethenylurea
CID 108909133
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiourea;hydroiodide
CID 87582100
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110863765

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline (CID 143860075) is 4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline is C=C(Nc1ccc(Cl)c(C(F)(F)F)c1)n1ccnc1.
What is the InChIKey of 4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline?
The InChIKey is JZQBLMDCHQEJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3/c1-8(19-5-4-17-7-19)18-9-2-3-11(13)10(6-9)12(14,15)16/h2-7,18H,1H2.
What are the key properties of 4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline?
4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline has a molecular weight of 287.67 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-imidazol-1-ylethenyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 143860075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).