2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine

C19H28ClN5 — CID 84745575

IUPAC2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine
SMILESCCN1CCN(C(CNC)c2nc(-c3ccccc3)n(C)c2Cl)CC1
InChIInChI=1S/C19H28ClN5/c1-4-24-10-12-25(13-11-24)16(14-21-2)17-18(20)23(3)19(22-17)15-8-6-5-7-9-15/h5-9,16,21H,4,10-14H2,1-3H3
InChIKeyDJKPJECISKWLEL-UHFFFAOYSA-N
MW361.92 g/mol
LogP2.64
Rot. Bonds6

About 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine

2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine (PubChem CID 84745575) has the molecular formula C19H28ClN5 and a molecular weight of 361.92 g/mol. Its IUPAC name is 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine
PubChem CID84745575
Molecular FormulaC19H28ClN5
Molecular Weight361.92 g/mol
Exact Mass361.20
IUPAC Name2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine
SMILESCCN1CCN(C(CNC)c2nc(-c3ccccc3)n(C)c2Cl)CC1
InChIInChI=1S/C19H28ClN5/c1-4-24-10-12-25(13-11-24)16(14-21-2)17-18(20)23(3)19(22-17)15-8-6-5-7-9-15/h5-9,16,21H,4,10-14H2,1-3H3
InChIKeyDJKPJECISKWLEL-UHFFFAOYSA-N
XLogP2.64
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine (CID 84745575) is 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine is CCN1CCN(C(CNC)c2nc(-c3ccccc3)n(C)c2Cl)CC1.
What is the InChIKey of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine?
The InChIKey is DJKPJECISKWLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN5/c1-4-24-10-12-25(13-11-24)16(14-21-2)17-18(20)23(3)19(22-17)15-8-6-5-7-9-15/h5-9,16,21H,4,10-14H2,1-3H3.
What are the key properties of 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine?
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine has a molecular weight of 361.92 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine is sourced from PubChem (CID 84745575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).