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

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Related Compounds

N-cyclohexyl-2-[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
CID 139222504
4-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-2-yl]phenol
CID 861692
4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 861991
3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 143687666
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] thiophene-2-carboxylate
CID 4001669
4-(3-methylimidazo[1,2-a]pyridin-2-yl)benzonitrile
CID 852496
N-cyclopentyl-2-piperidin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 50742555
N-cyclohexyl-2-(5-methyl-1,2-oxazol-3-yl)imidazo[1,2-a]pyridin-3-amine
CID 45377010
2-(3-chloro-2-fluorophenyl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine
CID 45255360
5-chloro-2-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenol
CID 143959387
4-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 129225981
N-cyclohexyl-2-(5-nitrofuran-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 170913656

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).