1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine

C20H25N5O — CID 77088238

IUPAC1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
SMILESCOc1ccc(-n2ccnc2CN2CCCC(c3nccn3C)C2)cc1
InChIInChI=1S/C20H25N5O/c1-23-12-9-22-20(23)16-4-3-11-24(14-16)15-19-21-10-13-25(19)17-5-7-18(26-2)8-6-17/h5-10,12-13,16H,3-4,11,14-15H2,1-2H3
InChIKeyGFHAFDAQDWFPDK-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.99
Rot. Bonds5

About 1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine

1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine (PubChem CID 77088238) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
PubChem CID77088238
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
SMILESCOc1ccc(-n2ccnc2CN2CCCC(c3nccn3C)C2)cc1
InChIInChI=1S/C20H25N5O/c1-23-12-9-22-20(23)16-4-3-11-24(14-16)15-19-21-10-13-25(19)17-5-7-18(26-2)8-6-17/h5-10,12-13,16H,3-4,11,14-15H2,1-2H3
InChIKeyGFHAFDAQDWFPDK-UHFFFAOYSA-N
XLogP2.99
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 77083372
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol
CID 131948750
2-(4-methoxyphenyl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96573896
2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol
CID 45199441
(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96575384
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 91828668
(3R,8aS)-2-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 138383366
2-methyl-4-[[3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 70716382
5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 96577271
3-(1-methylimidazol-2-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 70754233

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine?
The IUPAC name of 1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine (CID 77088238) is 1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine.
What is the SMILES notation for 1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine?
The canonical SMILES for 1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine is COc1ccc(-n2ccnc2CN2CCCC(c3nccn3C)C2)cc1.
What is the InChIKey of 1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine?
The InChIKey is GFHAFDAQDWFPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-23-12-9-22-20(23)16-4-3-11-24(14-16)15-19-21-10-13-25(19)17-5-7-18(26-2)8-6-17/h5-10,12-13,16H,3-4,11,14-15H2,1-2H3.
What are the key properties of 1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine?
1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine has a molecular weight of 351.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-3-(1-methylimidazol-2-yl)piperidine is sourced from PubChem (CID 77088238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).