4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one

C21H21ClN2O3 — CID 135281256

IUPAC4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one
SMILESCOc1cc(OC)c(-c2cn3ccc(C4CCC(=O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C21H21ClN2O3/c1-26-19-11-20(27-2)17(22)10-16(19)18-12-24-8-7-14(9-21(24)23-18)13-3-5-15(25)6-4-13/h7-13H,3-6H2,1-2H3
InChIKeyBMDNNOKODQDGPM-UHFFFAOYSA-N
MW384.86 g/mol
LogP4.90
Rot. Bonds4

About 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one

4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one (PubChem CID 135281256) has the molecular formula C21H21ClN2O3 and a molecular weight of 384.86 g/mol. Its IUPAC name is 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one
PubChem CID135281256
Molecular FormulaC21H21ClN2O3
Molecular Weight384.86 g/mol
Exact Mass384.12
IUPAC Name4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one
SMILESCOc1cc(OC)c(-c2cn3ccc(C4CCC(=O)CC4)cc3n2)cc1Cl
InChIInChI=1S/C21H21ClN2O3/c1-26-19-11-20(27-2)17(22)10-16(19)18-12-24-8-7-14(9-21(24)23-18)13-3-5-15(25)6-4-13/h7-13H,3-6H2,1-2H3
InChIKeyBMDNNOKODQDGPM-UHFFFAOYSA-N
XLogP4.90
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one?
The IUPAC name of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one (CID 135281256) is 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one?
The canonical SMILES for 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one is COc1cc(OC)c(-c2cn3ccc(C4CCC(=O)CC4)cc3n2)cc1Cl.
What is the InChIKey of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one?
The InChIKey is BMDNNOKODQDGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3/c1-26-19-11-20(27-2)17(22)10-16(19)18-12-24-8-7-14(9-21(24)23-18)13-3-5-15(25)6-4-13/h7-13H,3-6H2,1-2H3.
What are the key properties of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one?
4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one has a molecular weight of 384.86 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]cyclohexan-1-one is sourced from PubChem (CID 135281256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).