N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide

C18H15N3O3 — CID 75416226

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide
SMILESO=C(Nc1cccc2c1OCCO2)c1cncn1-c1ccccc1
InChIInChI=1S/C18H15N3O3/c22-18(15-11-19-12-21(15)13-5-2-1-3-6-13)20-14-7-4-8-16-17(14)24-10-9-23-16/h1-8,11-12H,9-10H2,(H,20,22)
InChIKeyRXPCWIZIUSKSMB-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.90
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide (PubChem CID 75416226) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide
PubChem CID75416226
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide
SMILESO=C(Nc1cccc2c1OCCO2)c1cncn1-c1ccccc1
InChIInChI=1S/C18H15N3O3/c22-18(15-11-19-12-21(15)13-5-2-1-3-6-13)20-14-7-4-8-16-17(14)24-10-9-23-16/h1-8,11-12H,9-10H2,(H,20,22)
InChIKeyRXPCWIZIUSKSMB-UHFFFAOYSA-N
XLogP2.90
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide (CID 75416226) is N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide is O=C(Nc1cccc2c1OCCO2)c1cncn1-c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide?
The InChIKey is RXPCWIZIUSKSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-18(15-11-19-12-21(15)13-5-2-1-3-6-13)20-14-7-4-8-16-17(14)24-10-9-23-16/h1-8,11-12H,9-10H2,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 75416226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).