diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole

C21H27BN2 — CID 67927664

IUPACdiphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole
SMILESCC(C)B(c1ccccc1)c1ccccc1.CC(C)c1cnc[nH]1
InChIInChI=1S/C15H17B.C6H10N2/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-5(2)6-3-7-4-8-6/h3-13H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyPLWHEHGWAPIVIT-UHFFFAOYSA-N
MW318.27 g/mol
LogP4.24
Rot. Bonds4

About diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole

diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole (PubChem CID 67927664) has the molecular formula C21H27BN2 and a molecular weight of 318.27 g/mol. Its IUPAC name is diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Namediphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole
PubChem CID67927664
Molecular FormulaC21H27BN2
Molecular Weight318.27 g/mol
Exact Mass318.23
IUPAC Namediphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole
SMILESCC(C)B(c1ccccc1)c1ccccc1.CC(C)c1cnc[nH]1
InChIInChI=1S/C15H17B.C6H10N2/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-5(2)6-3-7-4-8-6/h3-13H,1-2H3;3-5H,1-2H3,(H,7,8)
InChIKeyPLWHEHGWAPIVIT-UHFFFAOYSA-N
XLogP4.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole?
The IUPAC name of diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole (CID 67927664) is diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole.
What is the SMILES notation for diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole?
The canonical SMILES for diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole is CC(C)B(c1ccccc1)c1ccccc1.CC(C)c1cnc[nH]1.
What is the InChIKey of diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole?
The InChIKey is PLWHEHGWAPIVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17B.C6H10N2/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-5(2)6-3-7-4-8-6/h3-13H,1-2H3;3-5H,1-2H3,(H,7,8).
What are the key properties of diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole?
diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole has a molecular weight of 318.27 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(propan-2-yl)borane;5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 67927664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).