1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone

C20H20N2O2 — CID 10567715

IUPAC1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(OCCCc2cnc[nH]2)cc1
InChIInChI=1S/C20H20N2O2/c23-20(13-16-5-2-1-3-6-16)17-8-10-19(11-9-17)24-12-4-7-18-14-21-15-22-18/h1-3,5-6,8-11,14-15H,4,7,12-13H2,(H,21,22)
InChIKeyPNCMBEXZNXFEKY-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.85
Rot. Bonds8

About 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone

1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone (PubChem CID 10567715) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone
PubChem CID10567715
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(OCCCc2cnc[nH]2)cc1
InChIInChI=1S/C20H20N2O2/c23-20(13-16-5-2-1-3-6-16)17-8-10-19(11-9-17)24-12-4-7-18-14-21-15-22-18/h1-3,5-6,8-11,14-15H,4,7,12-13H2,(H,21,22)
InChIKeyPNCMBEXZNXFEKY-UHFFFAOYSA-N
XLogP3.85
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanethiol
CID 87662551
3-[3-(1H-imidazol-5-yl)propoxy]phenol;oxalic acid
CID 21193622
4-hydroxy-4-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-2-one
CID 69022253
4-[3-(1H-imidazol-5-yl)propoxy]thiobenzaldehyde
CID 21193608
5-[3-(2-phenoxyphenoxy)propyl]-1H-imidazole
CID 67692655
1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone
CID 18518429
1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea
CID 23219010
5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole
CID 10850088
2-phenoxyethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61303057
2-[3-(1H-imidazol-5-yl)propoxy]acetic acid;hydrochloride
CID 19766310
5-[2-(4-methylphenoxy)ethyl]-1H-imidazole
CID 10536116
bis[1-[3-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethylideneamino] oxalate
CID 173285706

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone?
The IUPAC name of 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone (CID 10567715) is 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone?
The canonical SMILES for 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(OCCCc2cnc[nH]2)cc1.
What is the InChIKey of 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone?
The InChIKey is PNCMBEXZNXFEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-20(13-16-5-2-1-3-6-16)17-8-10-19(11-9-17)24-12-4-7-18-14-21-15-22-18/h1-3,5-6,8-11,14-15H,4,7,12-13H2,(H,21,22).
What are the key properties of 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone?
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone has a molecular weight of 320.39 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone is sourced from PubChem (CID 10567715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).