5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide

C21H21N3O4 — CID 46971327

IUPAC5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)Nc3cc4c(cc3C)n(C)c(=O)n4C)c2c1
InChIInChI=1S/C21H21N3O4/c1-11-8-16-17(24(4)21(26)23(16)3)10-15(11)22-20(25)19-12(2)28-18-7-6-13(27-5)9-14(18)19/h6-10H,1-5H3,(H,22,25)
InChIKeyJWFAVHIDHXKMKD-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.50
Rot. Bonds3

About 5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide

5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide (PubChem CID 46971327) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide
PubChem CID46971327
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide
SMILESCOc1ccc2oc(C)c(C(=O)Nc3cc4c(cc3C)n(C)c(=O)n4C)c2c1
InChIInChI=1S/C21H21N3O4/c1-11-8-16-17(24(4)21(26)23(16)3)10-15(11)22-20(25)19-12(2)28-18-7-6-13(27-5)9-14(18)19/h6-10H,1-5H3,(H,22,25)
InChIKeyJWFAVHIDHXKMKD-UHFFFAOYSA-N
XLogP3.50
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide (CID 46971327) is 5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide is COc1ccc2oc(C)c(C(=O)Nc3cc4c(cc3C)n(C)c(=O)n4C)c2c1.
What is the InChIKey of 5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide?
The InChIKey is JWFAVHIDHXKMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-11-8-16-17(24(4)21(26)23(16)3)10-15(11)22-20(25)19-12(2)28-18-7-6-13(27-5)9-14(18)19/h6-10H,1-5H3,(H,22,25).
What are the key properties of 5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide?
5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 46971327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).