1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone

C15H16F2N2O2 — CID 115784838

IUPAC1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C15H16F2N2O2/c1-2-8-19-9-7-18-14(19)10-12(20)11-5-3-4-6-13(11)21-15(16)17/h3-7,9,15H,2,8,10H2,1H3
InChIKeyZFBFPNMFZCFTPG-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.32
Rot. Bonds7

About 1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone

1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone (PubChem CID 115784838) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone
PubChem CID115784838
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C15H16F2N2O2/c1-2-8-19-9-7-18-14(19)10-12(20)11-5-3-4-6-13(11)21-15(16)17/h3-7,9,15H,2,8,10H2,1H3
InChIKeyZFBFPNMFZCFTPG-UHFFFAOYSA-N
XLogP3.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 62955769
1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784740
1-(5-fluoro-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 79744097
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylimidazol-2-yl)ethanone
CID 115783554
2-(2-methoxyphenyl)-N-[(1-propylimidazol-2-yl)methyl]acetamide
CID 91768236
1-(4-fluoro-3-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784828
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784716
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784791
(1-propyltetrazol-5-yl)methyl 2-(difluoromethoxy)benzoate
CID 55399271
1-[2-(difluoromethoxy)phenyl]-4-methylpentan-1-one
CID 114966814

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone (CID 115784838) is 1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone is CCCn1ccnc1CC(=O)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone?
The InChIKey is ZFBFPNMFZCFTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-2-8-19-9-7-18-14(19)10-12(20)11-5-3-4-6-13(11)21-15(16)17/h3-7,9,15H,2,8,10H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone?
1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone has a molecular weight of 294.30 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-2-(1-propylimidazol-2-yl)ethanone is sourced from PubChem (CID 115784838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).