[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone

C25H24N6O2 — CID 122338711

IUPAC[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
SMILESCc1nccn1-c1cc(N2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)ncn1
InChIInChI=1S/C25H24N6O2/c1-19-26-11-12-31(19)24-17-23(27-18-28-24)29-13-15-30(16-14-29)25(32)21-9-5-6-10-22(21)33-20-7-3-2-4-8-20/h2-12,17-18H,13-16H2,1H3
InChIKeyVRNCBDLTVCTQSF-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.73
Rot. Bonds5

About [4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone

[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone (PubChem CID 122338711) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is [4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
PubChem CID122338711
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
SMILESCc1nccn1-c1cc(N2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)ncn1
InChIInChI=1S/C25H24N6O2/c1-19-26-11-12-31(19)24-17-23(27-18-28-24)29-13-15-30(16-14-29)25(32)21-9-5-6-10-22(21)33-20-7-3-2-4-8-20/h2-12,17-18H,13-16H2,1H3
InChIKeyVRNCBDLTVCTQSF-UHFFFAOYSA-N
XLogP3.73
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3,5-dimethoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70702483
[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122342360
(4-butoxyphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121073791
[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 122338798
(2-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755273
(2-methoxyphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700331
(4-ethylphenyl)-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56699638
(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060375
2-(4-fluorophenoxy)-1-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122338730
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 70702690
(2-chlorophenyl)-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 71791222
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122345851

Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone?
The IUPAC name of [4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone (CID 122338711) is [4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone.
What is the SMILES notation for [4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone?
The canonical SMILES for [4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone is Cc1nccn1-c1cc(N2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)ncn1.
What is the InChIKey of [4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone?
The InChIKey is VRNCBDLTVCTQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-19-26-11-12-31(19)24-17-23(27-18-28-24)29-13-15-30(16-14-29)25(32)21-9-5-6-10-22(21)33-20-7-3-2-4-8-20/h2-12,17-18H,13-16H2,1H3.
What are the key properties of [4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone?
[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone has a molecular weight of 440.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 122338711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).