(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate

C18H17ClN2O4 — CID 18099823

IUPAC(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCc2cn3cc(C)ccc3n2)cc(Cl)c1OC
InChIInChI=1S/C18H17ClN2O4/c1-11-4-5-16-20-13(9-21(16)8-11)10-25-18(22)12-6-14(19)17(24-3)15(7-12)23-2/h4-9H,10H2,1-3H3
InChIKeyVSPMZHGMONUXPA-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.67
Rot. Bonds5

About (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate

(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate (PubChem CID 18099823) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate.

Molecular Properties

Compound Name(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate
PubChem CID18099823
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OCc2cn3cc(C)ccc3n2)cc(Cl)c1OC
InChIInChI=1S/C18H17ClN2O4/c1-11-4-5-16-20-13(9-21(16)8-11)10-25-18(22)12-6-14(19)17(24-3)15(7-12)23-2/h4-9H,10H2,1-3H3
InChIKeyVSPMZHGMONUXPA-UHFFFAOYSA-N
XLogP3.67
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate
CID 8569355
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-methoxybenzoate
CID 18099535
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 7151600
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 4781182
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 7681082
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-benzylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 167866574
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-methylindole-3-carboxylate
CID 9380138
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9067042
1,3-benzothiazol-2-ylmethyl 3-chloro-4,5-dimethoxybenzoate
CID 7681010
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681088
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-chloro-4,5-dimethoxybenzoate
CID 7681084
5-chloro-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridine-3-carboxamide
CID 56816532

Frequently Asked Questions

What is the IUPAC name of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate?
The IUPAC name of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate (CID 18099823) is (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate.
What is the SMILES notation for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate?
The canonical SMILES for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate is COc1cc(C(=O)OCc2cn3cc(C)ccc3n2)cc(Cl)c1OC.
What is the InChIKey of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate?
The InChIKey is VSPMZHGMONUXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-11-4-5-16-20-13(9-21(16)8-11)10-25-18(22)12-6-14(19)17(24-3)15(7-12)23-2/h4-9H,10H2,1-3H3.
What are the key properties of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate?
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate has a molecular weight of 360.80 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-chloro-4,5-dimethoxybenzoate is sourced from PubChem (CID 18099823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).