4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline

C14H15ClF3N3 — CID 66134361

IUPAC4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCCCn1cncc1CNc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H15ClF3N3/c1-2-5-21-9-19-7-11(21)8-20-13-4-3-10(15)6-12(13)14(16,17)18/h3-4,6-7,9,20H,2,5,8H2,1H3
InChIKeyDXJXMBLCCCDXIG-UHFFFAOYSA-N
MW317.74 g/mol
LogP4.58
Rot. Bonds5

About 4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline

4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 66134361) has the molecular formula C14H15ClF3N3 and a molecular weight of 317.74 g/mol. Its IUPAC name is 4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID66134361
Molecular FormulaC14H15ClF3N3
Molecular Weight317.74 g/mol
Exact Mass317.09
IUPAC Name4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCCCn1cncc1CNc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H15ClF3N3/c1-2-5-21-9-19-7-11(21)8-20-13-4-3-10(15)6-12(13)14(16,17)18/h3-4,6-7,9,20H,2,5,8H2,1H3
InChIKeyDXJXMBLCCCDXIG-UHFFFAOYSA-N
XLogP4.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline (CID 66134361) is 4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline is CCCn1cncc1CNc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is DXJXMBLCCCDXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3/c1-2-5-21-9-19-7-11(21)8-20-13-4-3-10(15)6-12(13)14(16,17)18/h3-4,6-7,9,20H,2,5,8H2,1H3.
What are the key properties of 4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline?
4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 317.74 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-propylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 66134361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).