2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine

C20H30ClN5 — CID 84745652

IUPAC2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine
SMILESCNCC(c1[nH]c(-c2ccccc2)nc1Cl)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H30ClN5/c1-20(2,3)26-12-10-25(11-13-26)16(14-22-4)17-18(21)24-19(23-17)15-8-6-5-7-9-15/h5-9,16,22H,10-14H2,1-4H3,(H,23,24)
InChIKeyIGPLCMVDSPFRJT-UHFFFAOYSA-N
MW375.95 g/mol
LogP3.41
Rot. Bonds5

About 2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine

2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine (PubChem CID 84745652) has the molecular formula C20H30ClN5 and a molecular weight of 375.95 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine
PubChem CID84745652
Molecular FormulaC20H30ClN5
Molecular Weight375.95 g/mol
Exact Mass375.22
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine
SMILESCNCC(c1[nH]c(-c2ccccc2)nc1Cl)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H30ClN5/c1-20(2,3)26-12-10-25(11-13-26)16(14-22-4)17-18(21)24-19(23-17)15-8-6-5-7-9-15/h5-9,16,22H,10-14H2,1-4H3,(H,23,24)
InChIKeyIGPLCMVDSPFRJT-UHFFFAOYSA-N
XLogP3.41
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.95
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine (CID 84745652) is 2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine is CNCC(c1[nH]c(-c2ccccc2)nc1Cl)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine?
The InChIKey is IGPLCMVDSPFRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN5/c1-20(2,3)26-12-10-25(11-13-26)16(14-22-4)17-18(21)24-19(23-17)15-8-6-5-7-9-15/h5-9,16,22H,10-14H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine?
2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine has a molecular weight of 375.95 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 84745652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).