ethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate

C16H21ClN2O2 — CID 170360147

IUPACethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate
SMILESCCOC(=O)C(C)c1cn2c(n1)C(=C(C)C)C(C)C(Cl)=C2
InChIInChI=1S/C16H21ClN2O2/c1-6-21-16(20)11(5)13-8-19-7-12(17)10(4)14(9(2)3)15(19)18-13/h7-8,10-11H,6H2,1-5H3
InChIKeyIOXKJENVYZOBLA-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.03
Rot. Bonds3

About ethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate

ethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate (PubChem CID 170360147) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is ethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate
PubChem CID170360147
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Nameethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate
SMILESCCOC(=O)C(C)c1cn2c(n1)C(=C(C)C)C(C)C(Cl)=C2
InChIInChI=1S/C16H21ClN2O2/c1-6-21-16(20)11(5)13-8-19-7-12(17)10(4)14(9(2)3)15(19)18-13/h7-8,10-11H,6H2,1-5H3
InChIKeyIOXKJENVYZOBLA-UHFFFAOYSA-N
XLogP4.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate?
The IUPAC name of ethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate (CID 170360147) is ethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate?
The canonical SMILES for ethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate is CCOC(=O)C(C)c1cn2c(n1)C(=C(C)C)C(C)C(Cl)=C2.
What is the InChIKey of ethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate?
The InChIKey is IOXKJENVYZOBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-6-21-16(20)11(5)13-8-19-7-12(17)10(4)14(9(2)3)15(19)18-13/h7-8,10-11H,6H2,1-5H3.
What are the key properties of ethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate?
ethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate has a molecular weight of 308.81 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-7-methyl-8-propan-2-ylidene-7H-imidazo[1,2-a]pyridin-2-yl)propanoate is sourced from PubChem (CID 170360147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).