1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole

C14H12N4O — CID 138382486

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole
SMILESc1cc(-c2nccn2-c2ccc3c(c2)COC3)[nH]n1
InChIInChI=1S/C14H12N4O/c1-2-12(7-11-9-19-8-10(1)11)18-6-5-15-14(18)13-3-4-16-17-13/h1-7H,8-9H2,(H,16,17)
InChIKeyMDANFSZAYTTWIW-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.29
Rot. Bonds2

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole (PubChem CID 138382486) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole
PubChem CID138382486
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole
SMILESc1cc(-c2nccn2-c2ccc3c(c2)COC3)[nH]n1
InChIInChI=1S/C14H12N4O/c1-2-12(7-11-9-19-8-10(1)11)18-6-5-15-14(18)13-3-4-16-17-13/h1-7H,8-9H2,(H,16,17)
InChIKeyMDANFSZAYTTWIW-UHFFFAOYSA-N
XLogP2.29
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole (CID 138382486) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole is c1cc(-c2nccn2-c2ccc3c(c2)COC3)[nH]n1.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole?
The InChIKey is MDANFSZAYTTWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-2-12(7-11-9-19-8-10(1)11)18-6-5-15-14(18)13-3-4-16-17-13/h1-7H,8-9H2,(H,16,17).
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole has a molecular weight of 252.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(1H-pyrazol-5-yl)imidazole is sourced from PubChem (CID 138382486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).