N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C20H19N3O4 — CID 49170375

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)oc2ccccc12
InChIInChI=1S/C20H19N3O4/c1-22-15-9-8-12(10-16(15)23(2)20(22)25)21-19(24)18-14(11-26-3)13-6-4-5-7-17(13)27-18/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyYFTGAXUOLKHJEY-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.02
Rot. Bonds4

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 49170375) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID49170375
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)oc2ccccc12
InChIInChI=1S/C20H19N3O4/c1-22-15-9-8-12(10-16(15)23(2)20(22)25)21-19(24)18-14(11-26-3)13-6-4-5-7-17(13)27-18/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyYFTGAXUOLKHJEY-UHFFFAOYSA-N
XLogP3.02
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 18084321
3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153429
3-(methoxymethyl)-N-(3-nitrophenyl)-1-benzofuran-2-carboxamide
CID 9070735
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55764550
3-(methoxymethyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1-benzofuran-2-carboxamide
CID 51319285
N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55899409
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate
CID 29456795
3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 55478663
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 49170375) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)oc2ccccc12.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is YFTGAXUOLKHJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-22-15-9-8-12(10-16(15)23(2)20(22)25)21-19(24)18-14(11-26-3)13-6-4-5-7-17(13)27-18/h4-10H,11H2,1-3H3,(H,21,24).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.02, 4 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)-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 49170375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).