3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide

C18H19N3O4 — CID 929513

IUPAC3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)ncn3C)cc(OC)c1OC
InChIInChI=1S/C18H19N3O4/c1-21-10-19-13-9-12(5-6-14(13)21)20-18(22)11-7-15(23-2)17(25-4)16(8-11)24-3/h5-10H,1-4H3,(H,20,22)
InChIKeyIVDMIURLYGNWDG-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.85
Rot. Bonds5

About 3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide

3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide (PubChem CID 929513) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide
PubChem CID929513
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)ncn3C)cc(OC)c1OC
InChIInChI=1S/C18H19N3O4/c1-21-10-19-13-9-12(5-6-14(13)21)20-18(22)11-7-15(23-2)17(25-4)16(8-11)24-3/h5-10H,1-4H3,(H,20,22)
InChIKeyIVDMIURLYGNWDG-UHFFFAOYSA-N
XLogP2.85
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide (CID 929513) is 3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide is COc1cc(C(=O)Nc2ccc3c(c2)ncn3C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide?
The InChIKey is IVDMIURLYGNWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-21-10-19-13-9-12(5-6-14(13)21)20-18(22)11-7-15(23-2)17(25-4)16(8-11)24-3/h5-10H,1-4H3,(H,20,22).
What are the key properties of 3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide?
3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide has a molecular weight of 341.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(1-methylbenzimidazol-5-yl)benzamide is sourced from PubChem (CID 929513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).