N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C16H13N3O4 — CID 18160948

IUPACN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1COc2ccccc2O1
InChIInChI=1S/C16H13N3O4/c20-15(14-8-22-12-3-1-2-4-13(12)23-14)17-9-5-6-10-11(7-9)19-16(21)18-10/h1-7,14H,8H2,(H,17,20)(H2,18,19,21)
InChIKeyUMFAOEKEXYMCOR-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.63
Rot. Bonds2

About N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 18160948) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID18160948
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC NameN-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1COc2ccccc2O1
InChIInChI=1S/C16H13N3O4/c20-15(14-8-22-12-3-1-2-4-13(12)23-14)17-9-5-6-10-11(7-9)19-16(21)18-10/h1-7,14H,8H2,(H,17,20)(H2,18,19,21)
InChIKeyUMFAOEKEXYMCOR-UHFFFAOYSA-N
XLogP1.63
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3H-benzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51972953
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788362
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 23731931
N-(3-hydroxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4075154
N-(4-bromo-3-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2957823
(3R)-N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 846491
N-(4-tert-butylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 19168010
(3S)-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2210025
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 17402268
(3S)-N-(2-methyl-1,3-benzothiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7096310
N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103789852
N-[4-(pyridin-4-ylmethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 133185346

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 18160948) is N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1COc2ccccc2O1.
What is the InChIKey of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is UMFAOEKEXYMCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c20-15(14-8-22-12-3-1-2-4-13(12)23-14)17-9-5-6-10-11(7-9)19-16(21)18-10/h1-7,14H,8H2,(H,17,20)(H2,18,19,21).
What are the key properties of N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 18160948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).