1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine

C15H20N4 — CID 116881129

IUPAC1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine
SMILESCc1cccc(-c2cnc(C3CN(C)CCN3)[nH]2)c1
InChIInChI=1S/C15H20N4/c1-11-4-3-5-12(8-11)13-9-17-15(18-13)14-10-19(2)7-6-16-14/h3-5,8-9,14,16H,6-7,10H2,1-2H3,(H,17,18)
InChIKeyUREASDYZEGPQPL-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.96
Rot. Bonds2

About 1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine

1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine (PubChem CID 116881129) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine
PubChem CID116881129
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine
SMILESCc1cccc(-c2cnc(C3CN(C)CCN3)[nH]2)c1
InChIInChI=1S/C15H20N4/c1-11-4-3-5-12(8-11)13-9-17-15(18-13)14-10-19(2)7-6-16-14/h3-5,8-9,14,16H,6-7,10H2,1-2H3,(H,17,18)
InChIKeyUREASDYZEGPQPL-UHFFFAOYSA-N
XLogP1.96
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(5-phenyl-1H-imidazol-2-yl)piperazine
CID 116881118
3-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]-1-methylpiperazine
CID 116881125
3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine
CID 116881114
1-methyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperazine
CID 116881113
5-(3-methylphenyl)-1H-imidazol-2-amine
CID 66202111
2-bromo-5-(3-methylphenyl)-1H-imidazole
CID 105498727
2-chloro-5-(3-methylphenyl)-1H-imidazole
CID 105446615
6-methyl-3,9-bis(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-5,7-dihydrobenzo[d][2]benzazepine
CID 66620578
(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine
CID 51884033
1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45222470
3-(2-methoxy-5-methylphenyl)-1-methylpiperazine
CID 82114400
4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine
CID 116895613

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine?
The IUPAC name of 1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine (CID 116881129) is 1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine.
What is the SMILES notation for 1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine?
The canonical SMILES for 1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine is Cc1cccc(-c2cnc(C3CN(C)CCN3)[nH]2)c1.
What is the InChIKey of 1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine?
The InChIKey is UREASDYZEGPQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-4-3-5-12(8-11)13-9-17-15(18-13)14-10-19(2)7-6-16-14/h3-5,8-9,14,16H,6-7,10H2,1-2H3,(H,17,18).
What are the key properties of 1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine?
1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine has a molecular weight of 256.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(3-methylphenyl)-1H-imidazol-2-yl]piperazine is sourced from PubChem (CID 116881129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).