1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine

C20H30N4O — CID 56909683

IUPAC1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine
SMILESCCCCc1ncc(CN2CCN(c3ccccc3OC)CC2C)[nH]1
InChIInChI=1S/C20H30N4O/c1-4-5-10-20-21-13-17(22-20)15-23-11-12-24(14-16(23)2)18-8-6-7-9-19(18)25-3/h6-9,13,16H,4-5,10-12,14-15H2,1-3H3,(H,21,22)
InChIKeyHWTQPSLPEYEYCS-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.47
Rot. Bonds7

About 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine

1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine (PubChem CID 56909683) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine
PubChem CID56909683
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine
SMILESCCCCc1ncc(CN2CCN(c3ccccc3OC)CC2C)[nH]1
InChIInChI=1S/C20H30N4O/c1-4-5-10-20-21-13-17(22-20)15-23-11-12-24(14-16(23)2)18-8-6-7-9-19(18)25-3/h6-9,13,16H,4-5,10-12,14-15H2,1-3H3,(H,21,22)
InChIKeyHWTQPSLPEYEYCS-UHFFFAOYSA-N
XLogP3.47
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-pyrrolidin-1-yl-1,3-thiazole
CID 95715521
4-[[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 56897135
5-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]quinoxaline
CID 95719113
2-[2-[[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]methyl]phenoxy]acetic acid
CID 95721987
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
CID 59648018
5-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine
CID 45202028
1-(1-butyltetrazol-5-yl)-4-(2-methoxyphenyl)-2-methylpiperazine
CID 154929747
2-(methoxymethyl)-5-[[2-methyl-4-(2-methylphenyl)piperazin-1-yl]methyl]pyrimidine
CID 56704337
1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(3,4-dimethoxyphenyl)piperidin-3-amine
CID 45246172
(1R,5R)-6-[(2-butyl-1H-imidazol-5-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane
CID 70769345
3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole
CID 15288310
1-[6-[(2-butyl-1H-imidazol-5-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone
CID 156604452

Frequently Asked Questions

What is the IUPAC name of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine?
The IUPAC name of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine (CID 56909683) is 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine.
What is the SMILES notation for 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine?
The canonical SMILES for 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine is CCCCc1ncc(CN2CCN(c3ccccc3OC)CC2C)[nH]1.
What is the InChIKey of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine?
The InChIKey is HWTQPSLPEYEYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-4-5-10-20-21-13-17(22-20)15-23-11-12-24(14-16(23)2)18-8-6-7-9-19(18)25-3/h6-9,13,16H,4-5,10-12,14-15H2,1-3H3,(H,21,22).
What are the key properties of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine?
1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine has a molecular weight of 342.49 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(2-methoxyphenyl)-2-methylpiperazine is sourced from PubChem (CID 56909683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).