2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol

C19H36N4O — CID 45179437

IUPAC2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCCCCc1ncc(CN2CCN(CCC(C)C)C(CCO)C2)[nH]1
InChIInChI=1S/C19H36N4O/c1-4-5-6-19-20-13-17(21-19)14-22-10-11-23(9-7-16(2)3)18(15-22)8-12-24/h13,16,18,24H,4-12,14-15H2,1-3H3,(H,20,21)
InChIKeyINDWRPZBPSBWSA-UHFFFAOYSA-N
MW336.52 g/mol
LogP2.67
Rot. Bonds10

About 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol

2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol (PubChem CID 45179437) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
PubChem CID45179437
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
SMILESCCCCc1ncc(CN2CCN(CCC(C)C)C(CCO)C2)[nH]1
InChIInChI=1S/C19H36N4O/c1-4-5-6-19-20-13-17(21-19)14-22-10-11-23(9-7-16(2)3)18(15-22)8-12-24/h13,16,18,24H,4-12,14-15H2,1-3H3,(H,20,21)
InChIKeyINDWRPZBPSBWSA-UHFFFAOYSA-N
XLogP2.67
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol (CID 45179437) is 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol is CCCCc1ncc(CN2CCN(CCC(C)C)C(CCO)C2)[nH]1.
What is the InChIKey of 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
The InChIKey is INDWRPZBPSBWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-4-5-6-19-20-13-17(21-19)14-22-10-11-23(9-7-16(2)3)18(15-22)8-12-24/h13,16,18,24H,4-12,14-15H2,1-3H3,(H,20,21).
What are the key properties of 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol?
2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol has a molecular weight of 336.52 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45179437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).