4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine

C19H16F3N3 — CID 22464134

IUPAC4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine
SMILESFC(F)(F)c1cccc(-c2ncn(CC3CC3)c2-c2ccncc2)c1
InChIInChI=1S/C19H16F3N3/c20-19(21,22)16-3-1-2-15(10-16)17-18(14-6-8-23-9-7-14)25(12-24-17)11-13-4-5-13/h1-3,6-10,12-13H,4-5,11H2
InChIKeyVCVQRPHARDJSHG-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.04
Rot. Bonds4

About 4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine

4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine (PubChem CID 22464134) has the molecular formula C19H16F3N3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine
PubChem CID22464134
Molecular FormulaC19H16F3N3
Molecular Weight343.35 g/mol
Exact Mass343.13
IUPAC Name4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine
SMILESFC(F)(F)c1cccc(-c2ncn(CC3CC3)c2-c2ccncc2)c1
InChIInChI=1S/C19H16F3N3/c20-19(21,22)16-3-1-2-15(10-16)17-18(14-6-8-23-9-7-14)25(12-24-17)11-13-4-5-13/h1-3,6-10,12-13H,4-5,11H2
InChIKeyVCVQRPHARDJSHG-UHFFFAOYSA-N
XLogP5.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine?
The IUPAC name of 4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine (CID 22464134) is 4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine is FC(F)(F)c1cccc(-c2ncn(CC3CC3)c2-c2ccncc2)c1.
What is the InChIKey of 4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine?
The InChIKey is VCVQRPHARDJSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3/c20-19(21,22)16-3-1-2-15(10-16)17-18(14-6-8-23-9-7-14)25(12-24-17)11-13-4-5-13/h1-3,6-10,12-13H,4-5,11H2.
What are the key properties of 4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine?
4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine has a molecular weight of 343.35 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine is sourced from PubChem (CID 22464134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).