[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

C25H29ClN6O — CID 122345425

IUPAC[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1ncn(-c2cc(N3CCN(C(=O)C4(c5ccc(Cl)cc5)CCCC4)CC3)ncn2)c1C
InChIInChI=1S/C25H29ClN6O/c1-18-19(2)32(17-29-18)23-15-22(27-16-28-23)30-11-13-31(14-12-30)24(33)25(9-3-4-10-25)20-5-7-21(26)8-6-20/h5-8,15-17H,3-4,9-14H2,1-2H3
InChIKeyFYGGNSSLOJXEIW-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.09
Rot. Bonds4

About [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 122345425) has the molecular formula C25H29ClN6O and a molecular weight of 465.00 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID122345425
Molecular FormulaC25H29ClN6O
Molecular Weight465.00 g/mol
Exact Mass464.21
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1ncn(-c2cc(N3CCN(C(=O)C4(c5ccc(Cl)cc5)CCCC4)CC3)ncn2)c1C
InChIInChI=1S/C25H29ClN6O/c1-18-19(2)32(17-29-18)23-15-22(27-16-28-23)30-11-13-31(14-12-30)24(33)25(9-3-4-10-25)20-5-7-21(26)8-6-20/h5-8,15-17H,3-4,9-14H2,1-2H3
InChIKeyFYGGNSSLOJXEIW-UHFFFAOYSA-N
XLogP4.09
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122345328
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122345337
N-(2-chlorophenyl)-4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122345347
(4-bromophenyl)-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122345630
[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 122340265
(2,5-dichlorothiophen-3-yl)-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122345540
1-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-methoxyethanone
CID 122345316
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 70703030
(4-chlorophenyl)-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 56923129
[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55642127
[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 71873119
[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122334059

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 122345425) is [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1ncn(-c2cc(N3CCN(C(=O)C4(c5ccc(Cl)cc5)CCCC4)CC3)ncn2)c1C.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is FYGGNSSLOJXEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O/c1-18-19(2)32(17-29-18)23-15-22(27-16-28-23)30-11-13-31(14-12-30)24(33)25(9-3-4-10-25)20-5-7-21(26)8-6-20/h5-8,15-17H,3-4,9-14H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 465.00 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122345425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).