4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile

C20H20N4 — CID 45255135

IUPAC4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C20H20N4/c21-14-15-9-11-16(12-10-15)19-20(22-17-6-2-1-3-7-17)24-13-5-4-8-18(24)23-19/h4-5,8-13,17,22H,1-3,6-7H2
InChIKeyBTSYPIWHADCMSC-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.62
Rot. Bonds3

About 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile

4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile (PubChem CID 45255135) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile
PubChem CID45255135
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1
InChIInChI=1S/C20H20N4/c21-14-15-9-11-16(12-10-15)19-20(22-17-6-2-1-3-7-17)24-13-5-4-8-18(24)23-19/h4-5,8-13,17,22H,1-3,6-7H2
InChIKeyBTSYPIWHADCMSC-UHFFFAOYSA-N
XLogP4.62
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-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-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The IUPAC name of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile (CID 45255135) is 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile.
What is the SMILES notation for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The canonical SMILES for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile is N#Cc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1.
What is the InChIKey of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile?
The InChIKey is BTSYPIWHADCMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c21-14-15-9-11-16(12-10-15)19-20(22-17-6-2-1-3-7-17)24-13-5-4-8-18(24)23-19/h4-5,8-13,17,22H,1-3,6-7H2.
What are the key properties of 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile?
4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile has a molecular weight of 316.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 45255135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).