3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one

C20H20N2O — CID 3057015

IUPAC3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one
SMILESO=C(CCn1ccnc1)c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C20H20N2O/c23-20(12-14-22-15-13-21-16-22)19-10-8-18(9-11-19)7-6-17-4-2-1-3-5-17/h1-5,8-11,13,15-16H,6-7,12,14H2
InChIKeyIPLHRGCVXWHUOY-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.94
Rot. Bonds7

About 3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one

3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one (PubChem CID 3057015) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one
PubChem CID3057015
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one
SMILESO=C(CCn1ccnc1)c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C20H20N2O/c23-20(12-14-22-15-13-21-16-22)19-10-8-18(9-11-19)7-6-17-4-2-1-3-5-17/h1-5,8-11,13,15-16H,6-7,12,14H2
InChIKeyIPLHRGCVXWHUOY-UHFFFAOYSA-N
XLogP3.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one (CID 3057015) is 3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one is O=C(CCn1ccnc1)c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of 3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one?
The InChIKey is IPLHRGCVXWHUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-20(12-14-22-15-13-21-16-22)19-10-8-18(9-11-19)7-6-17-4-2-1-3-5-17/h1-5,8-11,13,15-16H,6-7,12,14H2.
What are the key properties of 3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one?
3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one has a molecular weight of 304.39 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[4-(2-phenylethyl)phenyl]propan-1-one is sourced from PubChem (CID 3057015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).