1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole

C16H16N4 — CID 155910429

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole
SMILESCn1ccc(-c2nccn2C2Cc3ccccc3C2)n1
InChIInChI=1S/C16H16N4/c1-19-8-6-15(18-19)16-17-7-9-20(16)14-10-12-4-2-3-5-13(12)11-14/h2-9,14H,10-11H2,1H3
InChIKeyHLEBEISLDGCZGM-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.62
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole

1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole (PubChem CID 155910429) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole
PubChem CID155910429
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole
SMILESCn1ccc(-c2nccn2C2Cc3ccccc3C2)n1
InChIInChI=1S/C16H16N4/c1-19-8-6-15(18-19)16-17-7-9-20(16)14-10-12-4-2-3-5-13(12)11-14/h2-9,14H,10-11H2,1H3
InChIKeyHLEBEISLDGCZGM-UHFFFAOYSA-N
XLogP2.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole (CID 155910429) is 1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole is Cn1ccc(-c2nccn2C2Cc3ccccc3C2)n1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole?
The InChIKey is HLEBEISLDGCZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-19-8-6-15(18-19)16-17-7-9-20(16)14-10-12-4-2-3-5-13(12)11-14/h2-9,14H,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole?
1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole has a molecular weight of 264.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-3-yl)imidazole is sourced from PubChem (CID 155910429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).