2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride

C20H31ClN4O — CID 120870422

IUPAC2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride
SMILESCc1cc(OCCN2CCNCC2c2nccn2C)ccc1C(C)C.Cl
InChIInChI=1S/C20H30N4O.ClH/c1-15(2)18-6-5-17(13-16(18)3)25-12-11-24-10-7-21-14-19(24)20-22-8-9-23(20)4;/h5-6,8-9,13,15,19,21H,7,10-12,14H2,1-4H3;1H
InChIKeyXWWCZDVAGKKFBY-UHFFFAOYSA-N
MW378.95 g/mol
LogP3.30
Rot. Bonds6

About 2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride

2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride (PubChem CID 120870422) has the molecular formula C20H31ClN4O and a molecular weight of 378.95 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride
PubChem CID120870422
Molecular FormulaC20H31ClN4O
Molecular Weight378.95 g/mol
Exact Mass378.22
IUPAC Name2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride
SMILESCc1cc(OCCN2CCNCC2c2nccn2C)ccc1C(C)C.Cl
InChIInChI=1S/C20H30N4O.ClH/c1-15(2)18-6-5-17(13-16(18)3)25-12-11-24-10-7-21-14-19(24)20-22-8-9-23(20)4;/h5-6,8-9,13,15,19,21H,7,10-12,14H2,1-4H3;1H
InChIKeyXWWCZDVAGKKFBY-UHFFFAOYSA-N
XLogP3.30
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.95
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride (CID 120870422) is 2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride is Cc1cc(OCCN2CCNCC2c2nccn2C)ccc1C(C)C.Cl.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride?
The InChIKey is XWWCZDVAGKKFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O.ClH/c1-15(2)18-6-5-17(13-16(18)3)25-12-11-24-10-7-21-14-19(24)20-22-8-9-23(20)4;/h5-6,8-9,13,15,19,21H,7,10-12,14H2,1-4H3;1H.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride?
2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride has a molecular weight of 378.95 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 120870422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).