methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate

C17H16N2O3 — CID 70813427

IUPACmethyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cccc3c2ncn3C)cc1OC
InChIInChI=1S/C17H16N2O3/c1-19-10-18-16-12(5-4-6-14(16)19)11-7-8-13(17(20)22-3)15(9-11)21-2/h4-10H,1-3H3
InChIKeyZVUCKIZBOSFJOH-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.04
Rot. Bonds3

About methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate

methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate (PubChem CID 70813427) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate
PubChem CID70813427
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate
SMILESCOC(=O)c1ccc(-c2cccc3c2ncn3C)cc1OC
InChIInChI=1S/C17H16N2O3/c1-19-10-18-16-12(5-4-6-14(16)19)11-7-8-13(17(20)22-3)15(9-11)21-2/h4-10H,1-3H3
InChIKeyZVUCKIZBOSFJOH-UHFFFAOYSA-N
XLogP3.04
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate?
The IUPAC name of methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate (CID 70813427) is methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate.
What is the SMILES notation for methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate?
The canonical SMILES for methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate is COC(=O)c1ccc(-c2cccc3c2ncn3C)cc1OC.
What is the InChIKey of methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate?
The InChIKey is ZVUCKIZBOSFJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-19-10-18-16-12(5-4-6-14(16)19)11-7-8-13(17(20)22-3)15(9-11)21-2/h4-10H,1-3H3.
What are the key properties of methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate?
methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate has a molecular weight of 296.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-(1-methylbenzimidazol-4-yl)benzoate is sourced from PubChem (CID 70813427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).