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

C20H24N6 — CID 18685195

IUPAC2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCC1CN(c2ncccn2)CC(C)N1Cc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C20H24N6/c1-15-12-25(20-21-9-6-10-22-20)13-16(2)26(15)14-18-11-23-19(24-18)17-7-4-3-5-8-17/h3-11,15-16H,12-14H2,1-2H3,(H,23,24)
InChIKeyQGOJGAVQVZNGAQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.97
Rot. Bonds4

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

2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 18685195) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID18685195
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCC1CN(c2ncccn2)CC(C)N1Cc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C20H24N6/c1-15-12-25(20-21-9-6-10-22-20)13-16(2)26(15)14-18-11-23-19(24-18)17-7-4-3-5-8-17/h3-11,15-16H,12-14H2,1-2H3,(H,23,24)
InChIKeyQGOJGAVQVZNGAQ-UHFFFAOYSA-N
XLogP2.97
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine
CID 15453799
4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
CID 10149949
1-(4-methoxyphenyl)-2-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
CID 10237133
4-[[3-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 166363762
(3S,4R)-4-phenyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120770504
2-[(3R,5S)-4-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpiperazin-1-yl]pyrimidine
CID 13449318
5-(3-methylbut-2-enyl)-2-phenyl-1H-imidazole
CID 10093854
1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 74226153
(2S)-2-(methoxymethyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperidine
CID 29183731
1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-4-ylpiperazine;bis(2,2,2-trifluoroacetic acid)
CID 154891600
1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine
CID 19106667
[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781260

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine (CID 18685195) is 2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine is CC1CN(c2ncccn2)CC(C)N1Cc1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is QGOJGAVQVZNGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-15-12-25(20-21-9-6-10-22-20)13-16(2)26(15)14-18-11-23-19(24-18)17-7-4-3-5-8-17/h3-11,15-16H,12-14H2,1-2H3,(H,23,24).
What are the key properties of 2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine?
2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 348.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 18685195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).