[5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C29H32N6O2 — CID 53115182

IUPAC[5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)o2)cc1
InChIInChI=1S/C29H32N6O2/c1-21-8-10-22(11-9-21)26-27(35(20-32-26)23-6-3-2-4-7-23)24-12-13-25(37-24)28(36)33-16-18-34(19-17-33)29-30-14-5-15-31-29/h5,8-15,20,23H,2-4,6-7,16-19H2,1H3
InChIKeyDMJKCKFFOZKQGT-UHFFFAOYSA-N
MW496.62 g/mol
LogP5.38
Rot. Bonds5

About [5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 53115182) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is [5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID53115182
Molecular FormulaC29H32N6O2
Molecular Weight496.62 g/mol
Exact Mass496.26
IUPAC Name[5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)o2)cc1
InChIInChI=1S/C29H32N6O2/c1-21-8-10-22(11-9-21)26-27(35(20-32-26)23-6-3-2-4-7-23)24-12-13-25(37-24)28(36)33-16-18-34(19-17-33)29-30-14-5-15-31-29/h5,8-15,20,23H,2-4,6-7,16-19H2,1H3
InChIKeyDMJKCKFFOZKQGT-UHFFFAOYSA-N
XLogP5.38
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.62
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 53115182) is [5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)N3CCN(c4ncccn4)CC3)o2)cc1.
What is the InChIKey of [5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DMJKCKFFOZKQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-21-8-10-22(11-9-21)26-27(35(20-32-26)23-6-3-2-4-7-23)24-12-13-25(37-24)28(36)33-16-18-34(19-17-33)29-30-14-5-15-31-29/h5,8-15,20,23H,2-4,6-7,16-19H2,1H3.
What are the key properties of [5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 496.62 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]furan-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 53115182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).