4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile

C22H19F3N4 — CID 133452532

IUPAC4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(N2CCc3c(ncn3CCc3ccccc3)C2)c(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N4/c23-22(24,25)18-12-17(13-26)6-7-20(18)28-11-9-21-19(14-28)27-15-29(21)10-8-16-4-2-1-3-5-16/h1-7,12,15H,8-11,14H2
InChIKeyRNDSFJXKIHISLX-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.58
Rot. Bonds4

About 4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile

4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile (PubChem CID 133452532) has the molecular formula C22H19F3N4 and a molecular weight of 396.42 g/mol. Its IUPAC name is 4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile
PubChem CID133452532
Molecular FormulaC22H19F3N4
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(N2CCc3c(ncn3CCc3ccccc3)C2)c(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N4/c23-22(24,25)18-12-17(13-26)6-7-20(18)28-11-9-21-19(14-28)27-15-29(21)10-8-16-4-2-1-3-5-16/h1-7,12,15H,8-11,14H2
InChIKeyRNDSFJXKIHISLX-UHFFFAOYSA-N
XLogP4.58
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile (CID 133452532) is 4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(N2CCc3c(ncn3CCc3ccccc3)C2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile?
The InChIKey is RNDSFJXKIHISLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4/c23-22(24,25)18-12-17(13-26)6-7-20(18)28-11-9-21-19(14-28)27-15-29(21)10-8-16-4-2-1-3-5-16/h1-7,12,15H,8-11,14H2.
What are the key properties of 4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile?
4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile has a molecular weight of 396.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 133452532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).