(3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone

C22H25FN4O3 — CID 53200197

IUPAC(3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN=C2N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C22H25FN4O3/c1-29-17-13-16(14-18(15-17)30-2)21(28)27-8-7-24-22(27)26-11-9-25(10-12-26)20-6-4-3-5-19(20)23/h3-6,13-15H,7-12H2,1-2H3
InChIKeyZCRBEZDUPMSYKX-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.48
Rot. Bonds4

About (3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone

(3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 53200197) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
PubChem CID53200197
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name(3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN=C2N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C22H25FN4O3/c1-29-17-13-16(14-18(15-17)30-2)21(28)27-8-7-24-22(27)26-11-9-25(10-12-26)20-6-4-3-5-19(20)23/h3-6,13-15H,7-12H2,1-2H3
InChIKeyZCRBEZDUPMSYKX-UHFFFAOYSA-N
XLogP2.48
TPSA57.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromophenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone
CID 53037886
(3-methoxyphenyl)-(2-pyrrolidin-1-yl-4,5-dihydroimidazol-1-yl)methanone
CID 53037791
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 52612498
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
[4-(2,4-difluorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 113079869
(2,4-dimethoxyphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3148007
[4-(2-fluorophenyl)piperazin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 1089294
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 110373209
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(4-methylphenyl)methanone
CID 53037868
(3,5-dimethoxyphenyl)-[2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 5068001
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methoxyfuro[2,3-b]quinolin-2-yl)methanone
CID 15990858
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone
CID 17494005

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone (CID 53200197) is (3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCN=C2N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is ZCRBEZDUPMSYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-29-17-13-16(14-18(15-17)30-2)21(28)27-8-7-24-22(27)26-11-9-25(10-12-26)20-6-4-3-5-19(20)23/h3-6,13-15H,7-12H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone?
(3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 412.47 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 53200197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).