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

C22H21N3O5 — CID 49168966

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)o1
InChIInChI=1S/C22H21N3O5/c1-24-16-10-8-14(12-17(16)25(2)22(24)27)23-21(26)20-11-9-15(30-20)13-29-19-7-5-4-6-18(19)28-3/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyNQJGRRWGLBOPOP-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.31
Rot. Bonds6

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 49168966) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID49168966
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)o1
InChIInChI=1S/C22H21N3O5/c1-24-16-10-8-14(12-17(16)25(2)22(24)27)23-21(26)20-11-9-15(30-20)13-29-19-7-5-4-6-18(19)28-3/h4-12H,13H2,1-3H3,(H,23,26)
InChIKeyNQJGRRWGLBOPOP-UHFFFAOYSA-N
XLogP3.31
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide
CID 3153929
5-[(2-methoxyphenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 19467514
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 6458101
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513
5-[(2-methoxyphenoxy)methyl]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]furan-2-carboxamide
CID 55760488
methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781590
5-[(2-methoxyphenoxy)methyl]-N-[3-(1,3-oxazol-5-yl)phenyl]furan-2-carboxamide
CID 55990422
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 55784838
5-[(2-methoxyphenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 3542536
N-(2-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 35529212
N-(3-chloro-4-methoxyphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7341802
N-(2,4-dichlorophenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 51781977

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide (CID 49168966) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is COc1ccccc1OCc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)o1.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is NQJGRRWGLBOPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-24-16-10-8-14(12-17(16)25(2)22(24)27)23-21(26)20-11-9-15(30-20)13-29-19-7-5-4-6-18(19)28-3/h4-12H,13H2,1-3H3,(H,23,26).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 407.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 49168966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).