2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine

C22H35N5 — CID 84745616

IUPAC2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine
SMILESCNCC(c1c(C)nc(-c2ccccc2)n1C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C22H35N5/c1-17-20(25(6)21(24-17)18-10-8-7-9-11-18)19(16-23-5)26-12-14-27(15-13-26)22(2,3)4/h7-11,19,23H,12-16H2,1-6H3
InChIKeyXZQBZGIVVYTLHC-UHFFFAOYSA-N
MW369.56 g/mol
LogP3.07
Rot. Bonds5

About 2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine

2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine (PubChem CID 84745616) has the molecular formula C22H35N5 and a molecular weight of 369.56 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine
PubChem CID84745616
Molecular FormulaC22H35N5
Molecular Weight369.56 g/mol
Exact Mass369.29
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine
SMILESCNCC(c1c(C)nc(-c2ccccc2)n1C)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C22H35N5/c1-17-20(25(6)21(24-17)18-10-8-7-9-11-18)19(16-23-5)26-12-14-27(15-13-26)22(2,3)4/h7-11,19,23H,12-16H2,1-6H3
InChIKeyXZQBZGIVVYTLHC-UHFFFAOYSA-N
XLogP3.07
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.56
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine
CID 84745652
2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 84743590
2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84745756
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine
CID 84745575
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84745570
2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine
CID 84745718
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 84745436
2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 84743632
2-(4-cyclopentylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetic acid
CID 84745686
2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 84744185
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 84743596
2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile
CID 84743522

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine (CID 84745616) is 2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine is CNCC(c1c(C)nc(-c2ccccc2)n1C)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine?
The InChIKey is XZQBZGIVVYTLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5/c1-17-20(25(6)21(24-17)18-10-8-7-9-11-18)19(16-23-5)26-12-14-27(15-13-26)22(2,3)4/h7-11,19,23H,12-16H2,1-6H3.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine?
2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine has a molecular weight of 369.56 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 84745616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).