2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline

C11H10Cl2F3N3 — CID 14878247

IUPAC2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)cc(NCC2=NCCN2)c1Cl
InChIInChI=1S/C11H10Cl2F3N3/c12-6-3-7(11(14,15)16)10(13)8(4-6)19-5-9-17-1-2-18-9/h3-4,19H,1-2,5H2,(H,17,18)
InChIKeyCHKWWNXOBNQVRF-UHFFFAOYSA-N
MW312.12 g/mol
LogP3.43
Rot. Bonds3

About 2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline

2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline (PubChem CID 14878247) has the molecular formula C11H10Cl2F3N3 and a molecular weight of 312.12 g/mol. Its IUPAC name is 2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline
PubChem CID14878247
Molecular FormulaC11H10Cl2F3N3
Molecular Weight312.12 g/mol
Exact Mass311.02
IUPAC Name2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(Cl)cc(NCC2=NCCN2)c1Cl
InChIInChI=1S/C11H10Cl2F3N3/c12-6-3-7(11(14,15)16)10(13)8(4-6)19-5-9-17-1-2-18-9/h3-4,19H,1-2,5H2,(H,17,18)
InChIKeyCHKWWNXOBNQVRF-UHFFFAOYSA-N
XLogP3.43
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline (CID 14878247) is 2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline is FC(F)(F)c1cc(Cl)cc(NCC2=NCCN2)c1Cl.
What is the InChIKey of 2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline?
The InChIKey is CHKWWNXOBNQVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F3N3/c12-6-3-7(11(14,15)16)10(13)8(4-6)19-5-9-17-1-2-18-9/h3-4,19H,1-2,5H2,(H,17,18).
What are the key properties of 2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline?
2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline has a molecular weight of 312.12 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 14878247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).