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

C21H23FN4O2 — CID 53200194

IUPAC[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN=C2N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C21H23FN4O2/c1-28-17-6-4-5-16(15-17)20(27)26-10-9-23-21(26)25-13-11-24(12-14-25)19-8-3-2-7-18(19)22/h2-8,15H,9-14H2,1H3
InChIKeyVHGDWYONLXJTFQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.47
Rot. Bonds3

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

[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 53200194) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is [2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone
PubChem CID53200194
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN=C2N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C21H23FN4O2/c1-28-17-6-4-5-16(15-17)20(27)26-10-9-23-21(26)25-13-11-24(12-14-25)19-8-3-2-7-18(19)22/h2-8,15H,9-14H2,1H3
InChIKeyVHGDWYONLXJTFQ-UHFFFAOYSA-N
XLogP2.47
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone (CID 53200194) is [2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN=C2N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of [2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is VHGDWYONLXJTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-28-17-6-4-5-16(15-17)20(27)26-10-9-23-21(26)25-13-11-24(12-14-25)19-8-3-2-7-18(19)22/h2-8,15H,9-14H2,1H3.
What are the key properties of [2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone?
[2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 382.44 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 53200194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).