3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

C16H19N3O2 — CID 71754922

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
SMILESO=C(CCc1ccc2c(c1)CCO2)NCCc1cnc[nH]1
InChIInChI=1S/C16H19N3O2/c20-16(18-7-5-14-10-17-11-19-14)4-2-12-1-3-15-13(9-12)6-8-21-15/h1,3,9-11H,2,4-8H2,(H,17,19)(H,18,20)
InChIKeyYWVXTYWFZZYILH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.64
Rot. Bonds6

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide (PubChem CID 71754922) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
PubChem CID71754922
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
SMILESO=C(CCc1ccc2c(c1)CCO2)NCCc1cnc[nH]1
InChIInChI=1S/C16H19N3O2/c20-16(18-7-5-14-10-17-11-19-14)4-2-12-1-3-15-13(9-12)6-8-21-15/h1,3,9-11H,2,4-8H2,(H,17,19)(H,18,20)
InChIKeyYWVXTYWFZZYILH-UHFFFAOYSA-N
XLogP1.64
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzofuran-6-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 71754796
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
CID 115162653
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 53352132
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 50953496
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(3-methylimidazol-4-yl)acetamide
CID 100611990
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 110790414
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenoxypropanamide
CID 110792383
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110792398
2-(11-benzyl-9-oxo-2-oxa-8,11-diazabicyclo[11.4.0]heptadeca-1(13),14,16-trien-15-yl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 175657350

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide (CID 71754922) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide is O=C(CCc1ccc2c(c1)CCO2)NCCc1cnc[nH]1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
The InChIKey is YWVXTYWFZZYILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(18-7-5-14-10-17-11-19-14)4-2-12-1-3-15-13(9-12)6-8-21-15/h1,3,9-11H,2,4-8H2,(H,17,19)(H,18,20).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide has a molecular weight of 285.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 71754922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).