N-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide

C18H25N5O — CID 18423038

IUPACN-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CN2CCN(c3nccn3C)CC2)cc1
InChIInChI=1S/C18H25N5O/c1-15(24)20-13-16-3-5-17(6-4-16)14-22-9-11-23(12-10-22)18-19-7-8-21(18)2/h3-8H,9-14H2,1-2H3,(H,20,24)
InChIKeyPBNRQYARCKEUPM-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.38
Rot. Bonds5

About N-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide

N-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide (PubChem CID 18423038) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
PubChem CID18423038
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(CN2CCN(c3nccn3C)CC2)cc1
InChIInChI=1S/C18H25N5O/c1-15(24)20-13-16-3-5-17(6-4-16)14-22-9-11-23(12-10-22)18-19-7-8-21(18)2/h3-8H,9-14H2,1-2H3,(H,20,24)
InChIKeyPBNRQYARCKEUPM-UHFFFAOYSA-N
XLogP1.38
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide (CID 18423038) is N-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(CN2CCN(c3nccn3C)CC2)cc1.
What is the InChIKey of N-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide?
The InChIKey is PBNRQYARCKEUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-15(24)20-13-16-3-5-17(6-4-16)14-22-9-11-23(12-10-22)18-19-7-8-21(18)2/h3-8H,9-14H2,1-2H3,(H,20,24).
What are the key properties of N-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide?
N-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 18423038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).