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

C21H19ClN4 — CID 133452443

IUPAC4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc(Cl)cc1N1CCc2c(ncn2CCc2ccccc2)C1
InChIInChI=1S/C21H19ClN4/c22-18-7-6-17(13-23)21(12-18)25-11-9-20-19(14-25)24-15-26(20)10-8-16-4-2-1-3-5-16/h1-7,12,15H,8-11,14H2
InChIKeyQKKHFCFOQQWYRB-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.21
Rot. Bonds4

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

4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile (PubChem CID 133452443) has the molecular formula C21H19ClN4 and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile
PubChem CID133452443
Molecular FormulaC21H19ClN4
Molecular Weight362.86 g/mol
Exact Mass362.13
IUPAC Name4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile
SMILESN#Cc1ccc(Cl)cc1N1CCc2c(ncn2CCc2ccccc2)C1
InChIInChI=1S/C21H19ClN4/c22-18-7-6-17(13-23)21(12-18)25-11-9-20-19(14-25)24-15-26(20)10-8-16-4-2-1-3-5-16/h1-7,12,15H,8-11,14H2
InChIKeyQKKHFCFOQQWYRB-UHFFFAOYSA-N
XLogP4.21
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile?
The IUPAC name of 4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile (CID 133452443) is 4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile?
The canonical SMILES for 4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile is N#Cc1ccc(Cl)cc1N1CCc2c(ncn2CCc2ccccc2)C1.
What is the InChIKey of 4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile?
The InChIKey is QKKHFCFOQQWYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4/c22-18-7-6-17(13-23)21(12-18)25-11-9-20-19(14-25)24-15-26(20)10-8-16-4-2-1-3-5-16/h1-7,12,15H,8-11,14H2.
What are the key properties of 4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile?
4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile has a molecular weight of 362.86 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 133452443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).