2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine

C20H24N6 — CID 15453799

IUPAC2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine
SMILESc1ccc(-c2ncc(CCCN3CCN(c4ncccn4)CC3)[nH]2)cc1
InChIInChI=1S/C20H24N6/c1-2-6-17(7-3-1)19-23-16-18(24-19)8-4-11-25-12-14-26(15-13-25)20-21-9-5-10-22-20/h1-3,5-7,9-10,16H,4,8,11-15H2,(H,23,24)
InChIKeySNWAJPABCMKSJL-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.62
Rot. Bonds6

About 2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine

2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine (PubChem CID 15453799) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine
PubChem CID15453799
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine
SMILESc1ccc(-c2ncc(CCCN3CCN(c4ncccn4)CC3)[nH]2)cc1
InChIInChI=1S/C20H24N6/c1-2-6-17(7-3-1)19-23-16-18(24-19)8-4-11-25-12-14-26(15-13-25)20-21-9-5-10-22-20/h1-3,5-7,9-10,16H,4,8,11-15H2,(H,23,24)
InChIKeySNWAJPABCMKSJL-UHFFFAOYSA-N
XLogP2.62
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
CID 10149949
2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
CID 18685195
2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol
CID 29022137
2-phenyl-5-undecyl-1H-imidazole
CID 154198104
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
2-phenyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 10172596
2-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 154886082
3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
CID 165127975
2-[4-[[2-(5-ethyl-2-methoxyphenyl)-1H-imidazol-5-yl]methyl]piperazin-1-yl]pyrimidine;dihydrochloride
CID 10288355
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
1-ethyl-3-(2-phenylethyl)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111135008

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine (CID 15453799) is 2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine is c1ccc(-c2ncc(CCCN3CCN(c4ncccn4)CC3)[nH]2)cc1.
What is the InChIKey of 2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine?
The InChIKey is SNWAJPABCMKSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-2-6-17(7-3-1)19-23-16-18(24-19)8-4-11-25-12-14-26(15-13-25)20-21-9-5-10-22-20/h1-3,5-7,9-10,16H,4,8,11-15H2,(H,23,24).
What are the key properties of 2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine?
2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine has a molecular weight of 348.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 15453799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).