imidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone

C21H22N4O2 — CID 118721891

IUPACimidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1ccnc1
InChIInChI=1S/C21H22N4O2/c26-21(25-11-10-22-17-25)24-14-12-23(13-15-24)16-18-6-8-20(9-7-18)27-19-4-2-1-3-5-19/h1-11,17H,12-16H2
InChIKeyBBLXIBKDDPPJBC-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.46
Rot. Bonds4

About imidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone

imidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 118721891) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is imidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Nameimidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID118721891
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Nameimidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1ccnc1
InChIInChI=1S/C21H22N4O2/c26-21(25-11-10-22-17-25)24-14-12-23(13-15-24)16-18-6-8-20(9-7-18)27-19-4-2-1-3-5-19/h1-11,17H,12-16H2
InChIKeyBBLXIBKDDPPJBC-UHFFFAOYSA-N
XLogP3.46
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-phenoxybenzyl)-1H-imidazole
CID 46889432
[4-[4-[(3-Fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-imidazol-1-ylmethanone
CID 24744041
1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
CID 2852313
2H-1-Benzopyran-2-one, 6-(1H-imidazol-1-ylmethyl)-
CID 11322098
1-[Bis(4-methoxyphenyl)methyl]imidazole
CID 10968400
1-[2-[4-Methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole
CID 4564402
[4-(2H-Imidazol-1-ylmethyl)-phenoxy]-acetic acid
CID 12870444
N-[3-(1H-imidazol-1-yl)propyl]-N'-(4-methoxybenzyl)ethanediamide
CID 2958937
2H-1-Benzopyran-2-thione, 6-(1H-imidazol-1-ylmethyl)-
CID 11356920
(5Z)-6-hydroxy-5-({[3-(1H-imidazol-1-yl)propyl]amino}methylidene)-3-(4-methoxybenzyl)pyrimidine-2,4(3H,5H)-dione
CID 3774390
N-Benzyl-2-({1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151046
1-[benzyl(methyl)amino]-3-[4-({[(1-methyl-1H-imidazol-2-yl)methyl]amino}methyl)phenoxy]propan-2-ol
CID 16187560

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of imidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone (CID 118721891) is imidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for imidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for imidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone is O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1ccnc1.
What is the InChIKey of imidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is BBLXIBKDDPPJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(25-11-10-22-17-25)24-14-12-23(13-15-24)16-18-6-8-20(9-7-18)27-19-4-2-1-3-5-19/h1-11,17H,12-16H2.
What are the key properties of imidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone?
imidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 118721891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).