2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

C19H25F2N5O2 — CID 60500196

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)CN(C)Cc3nccn3C(F)F)CC2)cc1
InChIInChI=1S/C19H25F2N5O2/c1-23(13-17-22-7-8-26(17)19(20)21)14-18(27)25-11-9-24(10-12-25)15-3-5-16(28-2)6-4-15/h3-8,19H,9-14H2,1-2H3
InChIKeyOQWVXWCRSYYSMK-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.07
Rot. Bonds7

About 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 60500196) has the molecular formula C19H25F2N5O2 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID60500196
Molecular FormulaC19H25F2N5O2
Molecular Weight393.44 g/mol
Exact Mass393.20
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(N2CCN(C(=O)CN(C)Cc3nccn3C(F)F)CC2)cc1
InChIInChI=1S/C19H25F2N5O2/c1-23(13-17-22-7-8-26(17)19(20)21)14-18(27)25-11-9-24(10-12-25)15-3-5-16(28-2)6-4-15/h3-8,19H,9-14H2,1-2H3
InChIKeyOQWVXWCRSYYSMK-UHFFFAOYSA-N
XLogP2.07
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(4-methoxyphenoxy)ethyl-methylamino]ethanone
CID 78795589
ethyl 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetate
CID 55024545
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]ethanone
CID 56510292
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 38302528
2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 4781236
2-[2-(2-methoxyphenoxy)ethyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55830450
4-[4-[2-(4-methoxy-N-methylanilino)acetyl]piperazin-1-yl]benzenesulfinic acid
CID 71250597
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158386
3-[benzyl(methyl)amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109020605
2-[2-(4-fluorophenoxy)ethyl-methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 55431470
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 60500196) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccc(N2CCN(C(=O)CN(C)Cc3nccn3C(F)F)CC2)cc1.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is OQWVXWCRSYYSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O2/c1-23(13-17-22-7-8-26(17)19(20)21)14-18(27)25-11-9-24(10-12-25)15-3-5-16(28-2)6-4-15/h3-8,19H,9-14H2,1-2H3.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 393.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60500196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).