4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C22H18ClN3O2 — CID 122322761

IUPAC4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(-c2cn3ccc(C)cc3n2)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O2/c1-14-9-10-26-13-19(24-21(26)11-14)16-5-8-20(28-2)18(12-16)25-22(27)15-3-6-17(23)7-4-15/h3-13H,1-2H3,(H,25,27)
InChIKeyOMRPSTPPANWKCF-UHFFFAOYSA-N
MW391.86 g/mol
LogP5.22
Rot. Bonds4

About 4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 122322761) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
PubChem CID122322761
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(-c2cn3ccc(C)cc3n2)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClN3O2/c1-14-9-10-26-13-19(24-21(26)11-14)16-5-8-20(28-2)18(12-16)25-22(27)15-3-6-17(23)7-4-15/h3-13H,1-2H3,(H,25,27)
InChIKeyOMRPSTPPANWKCF-UHFFFAOYSA-N
XLogP5.22
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 122322761) is 4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is COc1ccc(-c2cn3ccc(C)cc3n2)cc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The InChIKey is OMRPSTPPANWKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-14-9-10-26-13-19(24-21(26)11-14)16-5-8-20(28-2)18(12-16)25-22(27)15-3-6-17(23)7-4-15/h3-13H,1-2H3,(H,25,27).
What are the key properties of 4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide has a molecular weight of 391.86 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 122322761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).