2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol

C18H20ClN3O — CID 858071

IUPAC2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCCC(C)(C)Nc1c(-c2ccccc2O)nc2ccc(Cl)cn12
InChIInChI=1S/C18H20ClN3O/c1-4-18(2,3)21-17-16(13-7-5-6-8-14(13)23)20-15-10-9-12(19)11-22(15)17/h5-11,21,23H,4H2,1-3H3
InChIKeyNNIDXYLOWOUTAK-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.96
Rot. Bonds4

About 2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol

2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 858071) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID858071
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol
SMILESCCC(C)(C)Nc1c(-c2ccccc2O)nc2ccc(Cl)cn12
InChIInChI=1S/C18H20ClN3O/c1-4-18(2,3)21-17-16(13-7-5-6-8-14(13)23)20-15-10-9-12(19)11-22(15)17/h5-11,21,23H,4H2,1-3H3
InChIKeyNNIDXYLOWOUTAK-UHFFFAOYSA-N
XLogP4.96
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol 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 2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol (CID 858071) is 2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol is CCC(C)(C)Nc1c(-c2ccccc2O)nc2ccc(Cl)cn12.
What is the InChIKey of 2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is NNIDXYLOWOUTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-4-18(2,3)21-17-16(13-7-5-6-8-14(13)23)20-15-10-9-12(19)11-22(15)17/h5-11,21,23H,4H2,1-3H3.
What are the key properties of 2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol?
2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 329.83 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(2-methylbutan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 858071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).