N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C16H13N3O3 — CID 3547940

IUPACN-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H13N3O3/c20-15(10-5-6-13-14(9-10)22-8-7-21-13)19-16-17-11-3-1-2-4-12(11)18-16/h1-6,9H,7-8H2,(H2,17,18,19,20)
InChIKeyAGGLFUAUXVDSPX-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.59
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 3547940) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID3547940
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H13N3O3/c20-15(10-5-6-13-14(9-10)22-8-7-21-13)19-16-17-11-3-1-2-4-12(11)18-16/h1-6,9H,7-8H2,(H2,17,18,19,20)
InChIKeyAGGLFUAUXVDSPX-UHFFFAOYSA-N
XLogP2.59
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-ylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 122179127
N-(1H-benzimidazol-2-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 27649737
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18105110
N-(1H-benzimidazol-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzamide
CID 24539531
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 6723555
N-[3-(1H-benzimidazol-2-ylamino)propyl]-1,3-benzodioxole-5-carboxamide
CID 122179126
3-amino-N-(1H-benzimidazol-2-yl)benzamide
CID 62060005
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
N-(1H-benzimidazol-2-yl)-3-cyanobenzamide
CID 2635761
2-amino-N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 63565075
N-(1H-benzimidazol-2-yl)-3-cyano-4-pyrrolidin-1-ylbenzamide
CID 122136797
N-(1H-benzimidazol-2-yl)-4-(carbamoylamino)benzamide
CID 2477191

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 3547940) is N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is AGGLFUAUXVDSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-15(10-5-6-13-14(9-10)22-8-7-21-13)19-16-17-11-3-1-2-4-12(11)18-16/h1-6,9H,7-8H2,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 3547940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).