[8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol

C18H20ClN3O — CID 22672586

IUPAC[8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1cc(NCc2c(C)cccc2Cl)c2nc(C)c(CO)n2c1
InChIInChI=1S/C18H20ClN3O/c1-11-7-16(18-21-13(3)17(10-23)22(18)9-11)20-8-14-12(2)5-4-6-15(14)19/h4-7,9,20,23H,8,10H2,1-3H3
InChIKeyKMRJHAFYORZBHX-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.02
Rot. Bonds4

About [8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol

[8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol (PubChem CID 22672586) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is [8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol
PubChem CID22672586
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name[8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol
SMILESCc1cc(NCc2c(C)cccc2Cl)c2nc(C)c(CO)n2c1
InChIInChI=1S/C18H20ClN3O/c1-11-7-16(18-21-13(3)17(10-23)22(18)9-11)20-8-14-12(2)5-4-6-15(14)19/h4-7,9,20,23H,8,10H2,1-3H3
InChIKeyKMRJHAFYORZBHX-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol?
The IUPAC name of [8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol (CID 22672586) is [8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol.
What is the SMILES notation for [8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol?
The canonical SMILES for [8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol is Cc1cc(NCc2c(C)cccc2Cl)c2nc(C)c(CO)n2c1.
What is the InChIKey of [8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol?
The InChIKey is KMRJHAFYORZBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-11-7-16(18-21-13(3)17(10-23)22(18)9-11)20-8-14-12(2)5-4-6-15(14)19/h4-7,9,20,23H,8,10H2,1-3H3.
What are the key properties of [8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol?
[8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol has a molecular weight of 329.83 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(2-chloro-6-methylphenyl)methylamino]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]methanol is sourced from PubChem (CID 22672586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).