N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide

C17H19N3O4 — CID 56700613

IUPACN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)o1
InChIInChI=1S/C17H19N3O4/c1-19-13-6-4-11(8-14(13)20(2)17(19)22)9-18-16(21)15-7-5-12(24-15)10-23-3/h4-8H,9-10H2,1-3H3,(H,18,21)
InChIKeyZRIGSDIJKNBMQW-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.55
Rot. Bonds5

About N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 56700613) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID56700613
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)o1
InChIInChI=1S/C17H19N3O4/c1-19-13-6-4-11(8-14(13)20(2)17(19)22)9-18-16(21)15-7-5-12(24-15)10-23-3/h4-8H,9-10H2,1-3H3,(H,18,21)
InChIKeyZRIGSDIJKNBMQW-UHFFFAOYSA-N
XLogP1.55
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
N-[[3-(ethylcarbamoyl)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78878242
5-(methoxymethyl)-N-[(4-methylsulfonylphenyl)methyl]furan-2-carboxamide
CID 78872860
methyl N-[4-[[[5-(methoxymethyl)furan-2-carbonyl]amino]methyl]phenyl]carbamate
CID 78902905
5-(methoxymethyl)-N-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 78851950
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide
CID 110772244
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide
CID 5305578
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-methyl-1-benzofuran-5-carboxamide
CID 72937054
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 49168966
3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide
CID 90651448
5-(methoxymethyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 86918391
5-(methoxymethyl)-N-[(2-methoxyquinolin-4-yl)methyl]furan-2-carboxamide
CID 71998445

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide (CID 56700613) is N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)NCc2ccc3c(c2)n(C)c(=O)n3C)o1.
What is the InChIKey of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is ZRIGSDIJKNBMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-19-13-6-4-11(8-14(13)20(2)17(19)22)9-18-16(21)15-7-5-12(24-15)10-23-3/h4-8H,9-10H2,1-3H3,(H,18,21).
What are the key properties of N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 56700613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).