methyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate

C15H13N3O2 — CID 852091

IUPACmethyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(Cn2cnc3cnccc32)cc1
InChIInChI=1S/C15H13N3O2/c1-20-15(19)12-4-2-11(3-5-12)9-18-10-17-13-8-16-7-6-14(13)18/h2-8,10H,9H2,1H3
InChIKeyTUHNBIPNQJRBQI-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.27
Rot. Bonds3

About methyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate

methyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate (PubChem CID 852091) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate
PubChem CID852091
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namemethyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate
SMILESCOC(=O)c1ccc(Cn2cnc3cnccc32)cc1
InChIInChI=1S/C15H13N3O2/c1-20-15(19)12-4-2-11(3-5-12)9-18-10-17-13-8-16-7-6-14(13)18/h2-8,10H,9H2,1H3
InChIKeyTUHNBIPNQJRBQI-UHFFFAOYSA-N
XLogP2.27
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate?
The IUPAC name of methyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate (CID 852091) is methyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate.
What is the SMILES notation for methyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate?
The canonical SMILES for methyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate is COC(=O)c1ccc(Cn2cnc3cnccc32)cc1.
What is the InChIKey of methyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate?
The InChIKey is TUHNBIPNQJRBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-15(19)12-4-2-11(3-5-12)9-18-10-17-13-8-16-7-6-14(13)18/h2-8,10H,9H2,1H3.
What are the key properties of methyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate?
methyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate has a molecular weight of 267.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(imidazo[4,5-c]pyridin-1-ylmethyl)benzoate is sourced from PubChem (CID 852091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).