3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C18H17N3O3 — CID 5309906

IUPAC3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17N3O3/c22-18(8-7-17-20-13-3-1-2-4-14(13)21-17)19-12-5-6-15-16(11-12)24-10-9-23-15/h1-6,11H,7-10H2,(H,19,22)(H,20,21)
InChIKeyUSHCFUXRTSXMOL-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.91
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 5309906) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID5309906
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H17N3O3/c22-18(8-7-17-20-13-3-1-2-4-14(13)21-17)19-12-5-6-15-16(11-12)24-10-9-23-15/h1-6,11H,7-10H2,(H,19,22)(H,20,21)
InChIKeyUSHCFUXRTSXMOL-UHFFFAOYSA-N
XLogP2.91
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 5309906) is 3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is USHCFUXRTSXMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-18(8-7-17-20-13-3-1-2-4-14(13)21-17)19-12-5-6-15-16(11-12)24-10-9-23-15/h1-6,11H,7-10H2,(H,19,22)(H,20,21).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 323.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 5309906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).