1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one

C14H16N2O2 — CID 21193610

IUPAC1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(OCCc2cnc[nH]2)c1
InChIInChI=1S/C14H16N2O2/c1-2-14(17)11-4-3-5-13(8-11)18-7-6-12-9-15-10-16-12/h3-5,8-10H,2,6-7H2,1H3,(H,15,16)
InChIKeyRVEGJBVSENMUQZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.62
Rot. Bonds6

About 1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one

1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one (PubChem CID 21193610) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one
PubChem CID21193610
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1cccc(OCCc2cnc[nH]2)c1
InChIInChI=1S/C14H16N2O2/c1-2-14(17)11-4-3-5-13(8-11)18-7-6-12-9-15-10-16-12/h3-5,8-10H,2,6-7H2,1H3,(H,15,16)
InChIKeyRVEGJBVSENMUQZ-UHFFFAOYSA-N
XLogP2.62
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis[1-[3-[3-(1H-imidazol-5-yl)propoxy]phenyl]ethylideneamino] oxalate
CID 173285706
5-[3-[3-[(Z)-pent-2-en-3-yl]phenoxy]propyl]-1H-imidazole;2,2,2-trifluoroacetic acid
CID 21193554
5-[3-(3-pent-2-en-3-ylphenoxy)propyl]-1H-imidazole;2,2,2-trifluoroacetic acid
CID 69026615
3-[3-(1H-imidazol-5-yl)propoxy]phenol;oxalic acid
CID 21193622
2-[(3-ethoxybenzoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 108801732
5-[2-(4-methylphenoxy)ethyl]-1H-imidazole
CID 10536116
5-[2-(4-propylphenoxy)ethyl]-1H-imidazole
CID 10376572
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone
CID 10567715
2-bromo-1-(3-butoxyphenyl)ethanone
CID 22121403
3-(1H-imidazol-5-yl)propyl N-(3-acetylphenyl)carbamate
CID 11808309
1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-1-one
CID 15049953

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one?
The IUPAC name of 1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one (CID 21193610) is 1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one is CCC(=O)c1cccc(OCCc2cnc[nH]2)c1.
What is the InChIKey of 1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one?
The InChIKey is RVEGJBVSENMUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-14(17)11-4-3-5-13(8-11)18-7-6-12-9-15-10-16-12/h3-5,8-10H,2,6-7H2,1H3,(H,15,16).
What are the key properties of 1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one?
1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one has a molecular weight of 244.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1H-imidazol-5-yl)ethoxy]phenyl]propan-1-one is sourced from PubChem (CID 21193610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).