2,5-diphenyl-1H-imidazole;1H-pyrrole

C19H17N3 — CID 174802105

IUPAC2,5-diphenyl-1H-imidazole;1H-pyrrole
SMILESc1cc[nH]c1.c1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C15H12N2.C4H5N/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;1-2-4-5-3-1/h1-11H,(H,16,17);1-5H
InChIKeyCQKOTSXRDUMVEJ-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.76
Rot. Bonds2

About 2,5-diphenyl-1H-imidazole;1H-pyrrole

2,5-diphenyl-1H-imidazole;1H-pyrrole (PubChem CID 174802105) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2,5-diphenyl-1H-imidazole;1H-pyrrole.

Molecular Properties

Compound Name2,5-diphenyl-1H-imidazole;1H-pyrrole
PubChem CID174802105
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name2,5-diphenyl-1H-imidazole;1H-pyrrole
SMILESc1cc[nH]c1.c1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C15H12N2.C4H5N/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;1-2-4-5-3-1/h1-11H,(H,16,17);1-5H
InChIKeyCQKOTSXRDUMVEJ-UHFFFAOYSA-N
XLogP4.76
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1H-imidazole;1H-pyrrole?
The IUPAC name of 2,5-diphenyl-1H-imidazole;1H-pyrrole (CID 174802105) is 2,5-diphenyl-1H-imidazole;1H-pyrrole.
What is the SMILES notation for 2,5-diphenyl-1H-imidazole;1H-pyrrole?
The canonical SMILES for 2,5-diphenyl-1H-imidazole;1H-pyrrole is c1cc[nH]c1.c1ccc(-c2cnc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2,5-diphenyl-1H-imidazole;1H-pyrrole?
The InChIKey is CQKOTSXRDUMVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2.C4H5N/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13;1-2-4-5-3-1/h1-11H,(H,16,17);1-5H.
What are the key properties of 2,5-diphenyl-1H-imidazole;1H-pyrrole?
2,5-diphenyl-1H-imidazole;1H-pyrrole has a molecular weight of 287.37 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1H-imidazole;1H-pyrrole is sourced from PubChem (CID 174802105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).