pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate

C16H15N3O3 — CID 175838596

IUPACpyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate
SMILESCOc1cc(C(=O)OCc2ccccn2)cc2ncn(C)c12
InChIInChI=1S/C16H15N3O3/c1-19-10-18-13-7-11(8-14(21-2)15(13)19)16(20)22-9-12-5-3-4-6-17-12/h3-8,10H,9H2,1-2H3
InChIKeyYULCQKXAJXOXIE-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.33
Rot. Bonds4

About pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate

pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate (PubChem CID 175838596) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate
PubChem CID175838596
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Namepyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate
SMILESCOc1cc(C(=O)OCc2ccccn2)cc2ncn(C)c12
InChIInChI=1S/C16H15N3O3/c1-19-10-18-13-7-11(8-14(21-2)15(13)19)16(20)22-9-12-5-3-4-6-17-12/h3-8,10H,9H2,1-2H3
InChIKeyYULCQKXAJXOXIE-UHFFFAOYSA-N
XLogP2.33
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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[2-oxo-1-phenyl-2-(pyridin-2-ylmethoxy)ethyl] 3,4,5-trimethoxybenzoate
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pyridin-2-ylmethyl 2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate (CID 175838596) is pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate is COc1cc(C(=O)OCc2ccccn2)cc2ncn(C)c12.
What is the InChIKey of pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate?
The InChIKey is YULCQKXAJXOXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-19-10-18-13-7-11(8-14(21-2)15(13)19)16(20)22-9-12-5-3-4-6-17-12/h3-8,10H,9H2,1-2H3.
What are the key properties of pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate?
pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 7-methoxy-1-methylbenzimidazole-5-carboxylate is sourced from PubChem (CID 175838596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).