2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol

C18H34N4O — CID 45194198

IUPAC2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCc1nc(CN2CCN(CC(C)(C)C)C(CCO)C2)c(C)[nH]1
InChIInChI=1S/C18H34N4O/c1-6-17-19-14(2)16(20-17)12-21-8-9-22(13-18(3,4)5)15(11-21)7-10-23/h15,23H,6-13H2,1-5H3,(H,19,20)
InChIKeyPZWWUTXWZQCCFH-UHFFFAOYSA-N
MW322.50 g/mol
LogP2.20
Rot. Bonds6

About 2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol

2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45194198) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45194198
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol
SMILESCCc1nc(CN2CCN(CC(C)(C)C)C(CCO)C2)c(C)[nH]1
InChIInChI=1S/C18H34N4O/c1-6-17-19-14(2)16(20-17)12-21-8-9-22(13-18(3,4)5)15(11-21)7-10-23/h15,23H,6-13H2,1-5H3,(H,19,20)
InChIKeyPZWWUTXWZQCCFH-UHFFFAOYSA-N
XLogP2.20
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol (CID 45194198) is 2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol is CCc1nc(CN2CCN(CC(C)(C)C)C(CCO)C2)c(C)[nH]1.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is PZWWUTXWZQCCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-6-17-19-14(2)16(20-17)12-21-8-9-22(13-18(3,4)5)15(11-21)7-10-23/h15,23H,6-13H2,1-5H3,(H,19,20).
What are the key properties of 2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol?
2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 322.50 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45194198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).