4,5-diphenyl-1-prop-1-ynylimidazole

C18H14N2 — CID 170637236

IUPAC4,5-diphenyl-1-prop-1-ynylimidazole
SMILESCC#Cn1cnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H14N2/c1-2-13-20-14-19-17(15-9-5-3-6-10-15)18(20)16-11-7-4-8-12-16/h3-12,14H,1H3
InChIKeySPLBEIFVXNMFBA-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.05
Rot. Bonds2

About 4,5-diphenyl-1-prop-1-ynylimidazole

4,5-diphenyl-1-prop-1-ynylimidazole (PubChem CID 170637236) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4,5-diphenyl-1-prop-1-ynylimidazole.

Molecular Properties

Compound Name4,5-diphenyl-1-prop-1-ynylimidazole
PubChem CID170637236
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name4,5-diphenyl-1-prop-1-ynylimidazole
SMILESCC#Cn1cnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H14N2/c1-2-13-20-14-19-17(15-9-5-3-6-10-15)18(20)16-11-7-4-8-12-16/h3-12,14H,1H3
InChIKeySPLBEIFVXNMFBA-UHFFFAOYSA-N
XLogP4.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1-prop-1-ynylimidazole?
The IUPAC name of 4,5-diphenyl-1-prop-1-ynylimidazole (CID 170637236) is 4,5-diphenyl-1-prop-1-ynylimidazole.
What is the SMILES notation for 4,5-diphenyl-1-prop-1-ynylimidazole?
The canonical SMILES for 4,5-diphenyl-1-prop-1-ynylimidazole is CC#Cn1cnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4,5-diphenyl-1-prop-1-ynylimidazole?
The InChIKey is SPLBEIFVXNMFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-2-13-20-14-19-17(15-9-5-3-6-10-15)18(20)16-11-7-4-8-12-16/h3-12,14H,1H3.
What are the key properties of 4,5-diphenyl-1-prop-1-ynylimidazole?
4,5-diphenyl-1-prop-1-ynylimidazole has a molecular weight of 258.32 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1-prop-1-ynylimidazole is sourced from PubChem (CID 170637236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).