4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol

C22H26N4O2 — CID 86998725

IUPAC4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol
SMILESCn1ccnc1COc1ccc(CN2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-24-11-10-23-22(24)17-28-21-8-2-18(3-9-21)16-25-12-14-26(15-13-25)19-4-6-20(27)7-5-19/h2-11,27H,12-17H2,1H3
InChIKeyFDLCIBUVWJZOQV-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.03
Rot. Bonds6

About 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol

4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol (PubChem CID 86998725) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol
PubChem CID86998725
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol
SMILESCn1ccnc1COc1ccc(CN2CCN(c3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-24-11-10-23-22(24)17-28-21-8-2-18(3-9-21)16-25-12-14-26(15-13-25)19-4-6-20(27)7-5-19/h2-11,27H,12-17H2,1H3
InChIKeyFDLCIBUVWJZOQV-UHFFFAOYSA-N
XLogP3.03
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-ol
CID 60523622
2-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 112843998
2-[[4-(chloromethyl)phenoxy]methyl]-1-methylimidazole;hydrochloride
CID 42962680
4-[2-(1-methylimidazol-2-yl)ethoxy]phenol
CID 114528497
cyclopentyl-[1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidin-4-yl]-phenylmethanol
CID 71771141
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 51260467
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475
2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetonitrile
CID 43144039
4-benzyl-3-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole
CID 60524423
6-[(4-chlorophenoxy)methyl]-4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1,4-oxazepan-6-ol
CID 132779656

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol (CID 86998725) is 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol is Cn1ccnc1COc1ccc(CN2CCN(c3ccc(O)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol?
The InChIKey is FDLCIBUVWJZOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-24-11-10-23-22(24)17-28-21-8-2-18(3-9-21)16-25-12-14-26(15-13-25)19-4-6-20(27)7-5-19/h2-11,27H,12-17H2,1H3.
What are the key properties of 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol?
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol has a molecular weight of 378.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 86998725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).