[4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine

C23H28N4O — CID 82559746

IUPAC[4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine
SMILESCN1CCC(Oc2ccccc2-c2nccn2Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C23H28N4O/c1-26-13-10-20(11-14-26)28-22-5-3-2-4-21(22)23-25-12-15-27(23)17-19-8-6-18(16-24)7-9-19/h2-9,12,15,20H,10-11,13-14,16-17,24H2,1H3
InChIKeyFWUJXWQUSUMXHR-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.53
Rot. Bonds6

About [4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine

[4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine (PubChem CID 82559746) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is [4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine
PubChem CID82559746
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name[4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine
SMILESCN1CCC(Oc2ccccc2-c2nccn2Cc2ccc(CN)cc2)CC1
InChIInChI=1S/C23H28N4O/c1-26-13-10-20(11-14-26)28-22-5-3-2-4-21(22)23-25-12-15-27(23)17-19-8-6-18(16-24)7-9-19/h2-9,12,15,20H,10-11,13-14,16-17,24H2,1H3
InChIKeyFWUJXWQUSUMXHR-UHFFFAOYSA-N
XLogP3.53
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine with MolForge

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Related Compounds

N-methyl-3-[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]propan-1-amine
CID 82559740
4-[[2-[4-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenol
CID 82560811
4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560557
[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559863
[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 117052585
[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride
CID 159598247
[3-[[2-(2,6-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559535
[1-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]cyclobutyl]methanamine
CID 117489833
[4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558961
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine
CID 56982556
2-chloro-6-(1-methylpiperidin-4-yl)oxyaniline
CID 104835034

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine (CID 82559746) is [4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine is CN1CCC(Oc2ccccc2-c2nccn2Cc2ccc(CN)cc2)CC1.
What is the InChIKey of [4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is FWUJXWQUSUMXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-26-13-10-20(11-14-26)28-22-5-3-2-4-21(22)23-25-12-15-27(23)17-19-8-6-18(16-24)7-9-19/h2-9,12,15,20H,10-11,13-14,16-17,24H2,1H3.
What are the key properties of [4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine?
[4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 376.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[2-(1-methylpiperidin-4-yl)oxyphenyl]imidazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 82559746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).