2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone

C29H30FN5O2 — CID 123821326

IUPAC2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCOc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCC(Cc4ncc(C)cn4)CC3)n2)c1
InChIInChI=1S/C29H30FN5O2/c1-20-17-31-27(32-18-20)14-21-10-12-34(13-11-21)29(36)16-28-33-26(22-4-3-5-25(15-22)37-2)19-35(28)24-8-6-23(30)7-9-24/h3-9,15,17-19,21H,10-14,16H2,1-2H3
InChIKeyDCIXXBUEGNMHMO-UHFFFAOYSA-N
MW499.59 g/mol
LogP4.81
Rot. Bonds7

About 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone

2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 123821326) has the molecular formula C29H30FN5O2 and a molecular weight of 499.59 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID123821326
Molecular FormulaC29H30FN5O2
Molecular Weight499.59 g/mol
Exact Mass499.24
IUPAC Name2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCOc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCC(Cc4ncc(C)cn4)CC3)n2)c1
InChIInChI=1S/C29H30FN5O2/c1-20-17-31-27(32-18-20)14-21-10-12-34(13-11-21)29(36)16-28-33-26(22-4-3-5-25(15-22)37-2)19-35(28)24-8-6-23(30)7-9-24/h3-9,15,17-19,21H,10-14,16H2,1-2H3
InChIKeyDCIXXBUEGNMHMO-UHFFFAOYSA-N
XLogP4.81
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023791
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
2-(2,3-Dimethylphenoxy)-4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]pyrimidine
CID 18536630
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057675
5-[(4-Methoxyphenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10380992
7-(2-cyclohexylethyl)-6-[4-(4-acetylpiperazin-1-yl)phenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023784
7-(2-cyclohexylethyl)-6-[4-(4-acetylpiperazin-1-yl)-2-fluorophenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023785
7-(2-cyclohexylethyl)-6-[4-(4-acetylpiperazin-1-yl)-3-fluorophenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023786
2-(2-(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-yloxy)phenyl)acetamide
CID 53239985
(4-(2-Fluorophenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
CID 54580295
1-[4-(6-Fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 44522179
1-(3-Chloro-phenyl)-4-{3-[6-(4-trifluoromethoxy-phenyl)-pyridin-3-ylmethyl]-3H-imidazol-4-ylmethyl}-piperazin-2-one
CID 9807361

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone (CID 123821326) is 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone is COc1cccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCC(Cc4ncc(C)cn4)CC3)n2)c1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is DCIXXBUEGNMHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O2/c1-20-17-31-27(32-18-20)14-21-10-12-34(13-11-21)29(36)16-28-33-26(22-4-3-5-25(15-22)37-2)19-35(28)24-8-6-23(30)7-9-24/h3-9,15,17-19,21H,10-14,16H2,1-2H3.
What are the key properties of 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone?
2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 499.59 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-4-(3-methoxyphenyl)imidazol-2-yl]-1-[4-[(5-methylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 123821326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).