N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide

C18H25N5O — CID 51362783

IUPACN-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCN(C)CC2)c(-c2ccccc2)n1C
InChIInChI=1S/C18H25N5O/c1-14(24)19-18-20-16(13-23-11-9-21(2)10-12-23)17(22(18)3)15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3,(H,19,20,24)
InChIKeyBEEQSOMEQOWYJU-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.79
Rot. Bonds4

About N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide

N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide (PubChem CID 51362783) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide
PubChem CID51362783
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCN(C)CC2)c(-c2ccccc2)n1C
InChIInChI=1S/C18H25N5O/c1-14(24)19-18-20-16(13-23-11-9-21(2)10-12-23)17(22(18)3)15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3,(H,19,20,24)
InChIKeyBEEQSOMEQOWYJU-UHFFFAOYSA-N
XLogP1.79
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide?
The IUPAC name of N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide (CID 51362783) is N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide.
What is the SMILES notation for N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide?
The canonical SMILES for N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide is CC(=O)Nc1nc(CN2CCN(C)CC2)c(-c2ccccc2)n1C.
What is the InChIKey of N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide?
The InChIKey is BEEQSOMEQOWYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(24)19-18-20-16(13-23-11-9-21(2)10-12-23)17(22(18)3)15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3,(H,19,20,24).
What are the key properties of N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide?
N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-phenylimidazol-2-yl]acetamide is sourced from PubChem (CID 51362783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).