2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C27H28N6O2 — CID 71573458

IUPAC2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1cc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)ccc1C
InChIInChI=1S/C27H28N6O2/c1-20-9-10-22(17-24(20)35-2)23-18-33(26(30-23)21-7-4-3-5-8-21)19-25(34)31-13-15-32(16-14-31)27-28-11-6-12-29-27/h3-12,17-18H,13-16,19H2,1-2H3
InChIKeyVMYVWVWJLLTZFE-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.67
Rot. Bonds6

About 2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 71573458) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID71573458
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1cc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)ccc1C
InChIInChI=1S/C27H28N6O2/c1-20-9-10-22(17-24(20)35-2)23-18-33(26(30-23)21-7-4-3-5-8-21)19-25(34)31-13-15-32(16-14-31)27-28-11-6-12-29-27/h3-12,17-18H,13-16,19H2,1-2H3
InChIKeyVMYVWVWJLLTZFE-UHFFFAOYSA-N
XLogP3.67
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,3-Dimethylphenoxy)-4-[4-(4-Fluorophenyl)-1-(Piperidin-4-Yl)-1h-Imidazol-5-Yl]pyrimidine
CID 18536630
4-Ethyl-23-oxo-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3,5,7(27),9,11,13(26),16,18-octaene-10-carbonitrile
CID 18536050
23-Oxo-4-propyl-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3,5,7(27),9,11,13(26),16,18-octaene-10-carbonitrile
CID 18536181
4-Methyl-23-oxo-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3,5,7(27),9,11,13(26),16,18-octaene-10-carbonitrile
CID 20585601
23-Oxo-4-prop-2-enyl-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3,5,7(27),9,11,13(26),16,18-octaene-10-carbonitrile
CID 20585634
2-(2-(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-yloxy)phenyl)acetamide
CID 53239985
N,N-dimethyl-2-[(3R)-3-(5-{2-[2-methyl-5-(propan-2-yl)phenoxy]pyrimidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-1-yl)pyrrolidin-1-yl]ethan-1-amine
CID 162396657
2-(3-Methoxy-4-pyridin-2-ylphenyl)imidazo(1,2-a)pyridine
CID 10380127
1-(3-Chlorophenyl)-4-[2-[3-[[3-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]ethyl]piperazin-2-one
CID 9916011
4-Fluoro-23-oxo-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3,5,7(27),9,11,13(26),16,18-octaene-10-carbonitrile
CID 44372893
1-Benzyl-3-[(4-methoxyphenyl)methyl]purino[7,8-a]pyridine-2,4-dione
CID 11047906
23-Oxo-8-oxa-1,15,17,21-tetrazapentacyclo[19.2.2.13,7.19,13.015,19]heptacosa-3(27),4,6,9,11,13(26),16,18-octaene-10-carbonitrile
CID 9801069

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 71573458) is 2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is COc1cc(-c2cn(CC(=O)N3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)ccc1C.
What is the InChIKey of 2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is VMYVWVWJLLTZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-20-9-10-22(17-24(20)35-2)23-18-33(26(30-23)21-7-4-3-5-8-21)19-25(34)31-13-15-32(16-14-31)27-28-11-6-12-29-27/h3-12,17-18H,13-16,19H2,1-2H3.
What are the key properties of 2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 468.56 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxy-4-methylphenyl)-2-phenylimidazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 71573458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).