2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine

C18H28N6 — CID 54276505

IUPAC2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(CC3CN=C(C4CCCCC4)N3)CC2)nc1
InChIInChI=1S/C18H28N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h4,7-8,15-16H,1-3,5-6,9-14H2,(H,21,22)
InChIKeyRNTYNAYNWOHFLY-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.55
Rot. Bonds4

About 2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 54276505) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID54276505
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(CC3CN=C(C4CCCCC4)N3)CC2)nc1
InChIInChI=1S/C18H28N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h4,7-8,15-16H,1-3,5-6,9-14H2,(H,21,22)
InChIKeyRNTYNAYNWOHFLY-UHFFFAOYSA-N
XLogP1.55
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine (CID 54276505) is 2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine is c1cnc(N2CCN(CC3CN=C(C4CCCCC4)N3)CC2)nc1.
What is the InChIKey of 2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is RNTYNAYNWOHFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h4,7-8,15-16H,1-3,5-6,9-14H2,(H,21,22).
What are the key properties of 2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 328.46 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclohexyl-4,5-dihydro-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 54276505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).