2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole

C14H16N2O — CID 70073995

IUPAC2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
SMILESC=CCC1(C2=NCCN2)Cc2ccccc2O1
InChIInChI=1S/C14H16N2O/c1-2-7-14(13-15-8-9-16-13)10-11-5-3-4-6-12(11)17-14/h2-6H,1,7-10H2,(H,15,16)
InChIKeyMMNKTIKHKOUDGX-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.94
Rot. Bonds3

About 2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole

2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole (PubChem CID 70073995) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
PubChem CID70073995
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
SMILESC=CCC1(C2=NCCN2)Cc2ccccc2O1
InChIInChI=1S/C14H16N2O/c1-2-7-14(13-15-8-9-16-13)10-11-5-3-4-6-12(11)17-14/h2-6H,1,7-10H2,(H,15,16)
InChIKeyMMNKTIKHKOUDGX-UHFFFAOYSA-N
XLogP1.94
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole (CID 70073995) is 2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole is C=CCC1(C2=NCCN2)Cc2ccccc2O1.
What is the InChIKey of 2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is MMNKTIKHKOUDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-7-14(13-15-8-9-16-13)10-11-5-3-4-6-12(11)17-14/h2-6H,1,7-10H2,(H,15,16).
What are the key properties of 2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole?
2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 228.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 70073995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).