1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol

C24H29N3O2 — CID 166622132

IUPAC1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(Cc2cccc(-c3ccc(Cn4ccnc4)cc3)c2)CC1
InChIInChI=1S/C24H29N3O2/c28-17-24(29)22-8-11-26(12-9-22)16-20-2-1-3-23(14-20)21-6-4-19(5-7-21)15-27-13-10-25-18-27/h1-7,10,13-14,18,22,24,28-29H,8-9,11-12,15-17H2
InChIKeyCKPJQGMDNFLLTQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.16
Rot. Bonds7

About 1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol

1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol (PubChem CID 166622132) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
PubChem CID166622132
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(Cc2cccc(-c3ccc(Cn4ccnc4)cc3)c2)CC1
InChIInChI=1S/C24H29N3O2/c28-17-24(29)22-8-11-26(12-9-22)16-20-2-1-3-23(14-20)21-6-4-19(5-7-21)15-27-13-10-25-18-27/h1-7,10,13-14,18,22,24,28-29H,8-9,11-12,15-17H2
InChIKeyCKPJQGMDNFLLTQ-UHFFFAOYSA-N
XLogP3.16
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol with MolForge

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Related Compounds

phenyl-[1-[(3-pyridin-4-ylphenyl)methyl]piperidin-4-yl]methanol
CID 75438511
1-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]-2-phenylethanol
CID 45174481
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918111
4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine
CID 90493809
1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 138381001
4-(imidazol-1-ylmethyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 43918158
5-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2,3-triol
CID 23644764
1-[(3,4-dichlorophenyl)methyl]-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917712
(1S)-1-[3-[3-fluoro-5-(imidazol-1-ylmethyl)phenyl]phenyl]ethanol
CID 136589475
(R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 28641905
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917361
5-[4-(imidazol-1-ylmethyl)phenyl]-2,3-dihydro-1H-isoindole
CID 72910079

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol (CID 166622132) is 1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol is OCC(O)C1CCN(Cc2cccc(-c3ccc(Cn4ccnc4)cc3)c2)CC1.
What is the InChIKey of 1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol?
The InChIKey is CKPJQGMDNFLLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-17-24(29)22-8-11-26(12-9-22)16-20-2-1-3-23(14-20)21-6-4-19(5-7-21)15-27-13-10-25-18-27/h1-7,10,13-14,18,22,24,28-29H,8-9,11-12,15-17H2.
What are the key properties of 1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol?
1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol has a molecular weight of 391.52 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]piperidin-4-yl]ethane-1,2-diol is sourced from PubChem (CID 166622132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).