2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol

C19H28N4O2 — CID 30704354

IUPAC2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol
SMILESCc1[nH]c(-c2ccccc2)nc1CN1CCN(CCOCCO)CC1
InChIInChI=1S/C19H28N4O2/c1-16-18(21-19(20-16)17-5-3-2-4-6-17)15-23-9-7-22(8-10-23)11-13-25-14-12-24/h2-6,24H,7-15H2,1H3,(H,20,21)
InChIKeyIDVRTUOEPGMBBP-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.51
Rot. Bonds8

About 2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol

2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol (PubChem CID 30704354) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol
PubChem CID30704354
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol
SMILESCc1[nH]c(-c2ccccc2)nc1CN1CCN(CCOCCO)CC1
InChIInChI=1S/C19H28N4O2/c1-16-18(21-19(20-16)17-5-3-2-4-6-17)15-23-9-7-22(8-10-23)11-13-25-14-12-24/h2-6,24H,7-15H2,1H3,(H,20,21)
InChIKeyIDVRTUOEPGMBBP-UHFFFAOYSA-N
XLogP1.51
TPSA64.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol (CID 30704354) is 2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol is Cc1[nH]c(-c2ccccc2)nc1CN1CCN(CCOCCO)CC1.
What is the InChIKey of 2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol?
The InChIKey is IDVRTUOEPGMBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-16-18(21-19(20-16)17-5-3-2-4-6-17)15-23-9-7-22(8-10-23)11-13-25-14-12-24/h2-6,24H,7-15H2,1H3,(H,20,21).
What are the key properties of 2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol has a molecular weight of 344.46 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 30704354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).